1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene

C76H85Cl5F4N8S3 — CID 160670701

IUPAC1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cc(C)c(C)s1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C.Cc1ncsc1C.Cc1nnsc1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C7H10S.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N.C5H7NS.C4H6N2S/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-4-6(2)8-7(5)3;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;4H,1-3H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3
InChIKeyRMWVLJQJSJRGPN-UHFFFAOYSA-N
MW1460.03 g/mol
LogP24.96
Rot. Bonds

About 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene

1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene (PubChem CID 160670701) has the molecular formula C76H85Cl5F4N8S3 and a molecular weight of 1460.03 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene
PubChem CID160670701
Molecular FormulaC76H85Cl5F4N8S3
Molecular Weight1460.03 g/mol
Exact Mass1456.44
IUPAC Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cc(C)c(C)s1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C.Cc1ncsc1C.Cc1nnsc1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C7H10S.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N.C5H7NS.C4H6N2S/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-4-6(2)8-7(5)3;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;4H,1-3H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3
InChIKeyRMWVLJQJSJRGPN-UHFFFAOYSA-N
XLogP24.96
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.03
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;5-methylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 157411816
2-Chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 157443238
2-Chloro-5-(2,2-dimethylpropyl)-4-methylpyridine;6-chloro-3-(2,2-dimethylpropyl)-2-methylpyridine;2-chloro-5-(2,2-dimethylpropyl)pyrimidine;2,6-dichloro-3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2,4-dimethyl-1,3-thiazole;3-(2,2-dimethylpropyl)-6-fluoro-2-methylpyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazole
CID 157559277
1,3-Dichloro-2-propan-2-ylbenzene;4,6-dichloro-5-propan-2-ylpyrimidine;1,3-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158936684
1-Chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 159639243
1-Chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 160190606
1-Chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
CID 161771437
2-Chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 167563197

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene?
The IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene (CID 160670701) is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene.
What is the SMILES notation for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene?
The canonical SMILES for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene is Cc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1cc(C)c(C)s1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C.Cc1ncsc1C.Cc1nnsc1C.
What is the InChIKey of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene?
The InChIKey is RMWVLJQJSJRGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C7H10S.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N.C5H7NS.C4H6N2S/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-4-6(2)8-7(5)3;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;4H,1-3H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3.
What are the key properties of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene?
1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene has a molecular weight of 1460.03 g/mol, XLogP of 24.96, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;2,3,5-trimethylthiophene;1,2-xylene is sourced from PubChem (CID 160670701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).