4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole

C7H8N4S2 — CID 18708260

IUPAC4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sc2nncn2C)n1
InChIInChI=1S/C7H8N4S2/c1-5-3-12-7(9-5)13-6-10-8-4-11(6)2/h3-4H,1-2H3
InChIKeyCBMGNRQXEKKDSC-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.73
Rot. Bonds2

About 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole

4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (PubChem CID 18708260) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
PubChem CID18708260
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESCc1csc(Sc2nncn2C)n1
InChIInChI=1S/C7H8N4S2/c1-5-3-12-7(9-5)13-6-10-8-4-11(6)2/h3-4H,1-2H3
InChIKeyCBMGNRQXEKKDSC-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709371
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
2-(1-ethyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
CID 18708132
4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708380
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
N-(4-methyl-1,3-thiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 26362821
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 118784193
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
ethane;4-methyl-3-methylsulfanyl-1,2,4-triazole
CID 91546517
4-methyl-2-[1-(5-methylthiophen-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708140
4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 25496142
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (CID 18708260) is 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is Cc1csc(Sc2nncn2C)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The InChIKey is CBMGNRQXEKKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-5-3-12-7(9-5)13-6-10-8-4-11(6)2/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole has a molecular weight of 212.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18708260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).