4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C31H42N12S7 — CID 159713295

IUPAC4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1cnc(C)s1.Cc1cncs1.Cc1cnns1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnsc1C.Cn1ccnc1
InChIInChI=1S/C5H7NS.C4H6N2S.C4H6N2.3C4H5NS.2C3H4N2S/c1-4-3-6-5(2)7-4;1-3-4(2)7-6-5-3;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3H,1-2H3;1-2H3;2-4H,1H3;3*2-3H,1H3;2*2H,1H3
InChIKeyMZCPEELMBPFUFA-UHFFFAOYSA-N
MW807.23 g/mol
LogP9.38
Rot. Bonds

About 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159713295) has the molecular formula C31H42N12S7 and a molecular weight of 807.23 g/mol. Its IUPAC name is 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID159713295
Molecular FormulaC31H42N12S7
Molecular Weight807.23 g/mol
Exact Mass806.17
IUPAC Name4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1cnc(C)s1.Cc1cncs1.Cc1cnns1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnsc1C.Cn1ccnc1
InChIInChI=1S/C5H7NS.C4H6N2S.C4H6N2.3C4H5NS.2C3H4N2S/c1-4-3-6-5(2)7-4;1-3-4(2)7-6-5-3;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3H,1-2H3;1-2H3;2-4H,1H3;3*2-3H,1H3;2*2H,1H3
InChIKeyMZCPEELMBPFUFA-UHFFFAOYSA-N
XLogP9.38
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.23
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159713295) is 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is Cc1cnc(C)s1.Cc1cncs1.Cc1cnns1.Cc1cscn1.Cc1csnn1.Cc1nccs1.Cc1nnsc1C.Cn1ccnc1.
What is the InChIKey of 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is MZCPEELMBPFUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C4H6N2S.C4H6N2.3C4H5NS.2C3H4N2S/c1-4-3-6-5(2)7-4;1-3-4(2)7-6-5-3;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-2-6-5-4-3;1-3-2-4-5-6-3/h3H,1-2H3;1-2H3;2-4H,1H3;3*2-3H,1H3;2*2H,1H3.
What are the key properties of 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 807.23 g/mol, XLogP of 9.38, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiadiazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).