1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole

C70H112N10OS2 — CID 157127281

IUPAC1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)CC1CCOCC1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cn2ccsc2n1.CC(C)Cc1nccs1.Cc1c(CC(C)C)cnn1C.Cc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C9H12N2S.2C9H16N2.3C9H13N.C9H18O.C7H11NS/c1-7(2)5-8-6-11-3-4-12-9(11)10-8;1-7(2)5-9-6-10-11(4)8(9)3;1-7(2)5-9-6-8(3)10-11(9)4;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-8-3-4-9-7/h3-4,6-7H,5H2,1-2H3;2*6-7H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyAIQPMKNWOZYLDC-UHFFFAOYSA-N
MW1173.87 g/mol
LogP18.09
Rot. Bonds16

About 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole

1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole (PubChem CID 157127281) has the molecular formula C70H112N10OS2 and a molecular weight of 1173.87 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
PubChem CID157127281
Molecular FormulaC70H112N10OS2
Molecular Weight1173.87 g/mol
Exact Mass1172.85
IUPAC Name1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)CC1CCOCC1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cn2ccsc2n1.CC(C)Cc1nccs1.Cc1c(CC(C)C)cnn1C.Cc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C9H12N2S.2C9H16N2.3C9H13N.C9H18O.C7H11NS/c1-7(2)5-8-6-11-3-4-12-9(11)10-8;1-7(2)5-9-6-10-11(4)8(9)3;1-7(2)5-9-6-8(3)10-11(9)4;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-8-3-4-9-7/h3-4,6-7H,5H2,1-2H3;2*6-7H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyAIQPMKNWOZYLDC-UHFFFAOYSA-N
XLogP18.09
TPSA113.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.87
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole with MolForge

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Related Compounds

2,4-Dimethyl-6-propan-2-ylpyridine;3-ethyl-1-methylpyrazole;5-fluoro-2-propan-2-ylpyridine;methane;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159421158
4-[6-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 67005489
Cumene;ethylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;2-ethyl-1,3,4-thiadiazole;3-ethyl-1,2,5-thiadiazole;2-(2-methylpropoxy)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine;methylsulfanylmethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;propane;bis(pyridine);bis(pyrimidine);bis(1,3-thiazole)
CID 157122711
2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;bis(1-methyl-2-(5-phenyl-3H-thiophen-3-id-4-yl)imidazole);bis(1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole);bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide;1-(3H-thiophen-3-id-4-yl)pyrazole
CID 157135672
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157142389
2,5-Dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 157168648
1-Methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltetrazole;5-methylthiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
CID 157543608
2,5-Di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 157612081
4-Propan-2-yloxane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 157714703
2,5-Dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 157804765
1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
CID 157809491
Methane;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;1-methyltetrazole;5-methylthiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
CID 157852168

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole (CID 157127281) is 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole is CC(C)CC1CCOCC1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cn2ccsc2n1.CC(C)Cc1nccs1.Cc1c(CC(C)C)cnn1C.Cc1cc(CC(C)C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is AIQPMKNWOZYLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S.2C9H16N2.3C9H13N.C9H18O.C7H11NS/c1-7(2)5-8-6-11-3-4-12-9(11)10-8;1-7(2)5-9-6-10-11(4)8(9)3;1-7(2)5-9-6-8(3)10-11(9)4;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-8-3-4-9-7/h3-4,6-7H,5H2,1-2H3;2*6-7H,5H2,1-4H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole?
1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 1173.87 g/mol, XLogP of 18.09, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 157127281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).