4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole

C12H12N4S3 — CID 8751448

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCc1nnc(SCc2csc(-c3ccsc3)n2)n1C
InChIInChI=1S/C12H12N4S3/c1-8-14-15-12(16(8)2)19-7-10-6-18-11(13-10)9-3-4-17-5-9/h3-6H,7H2,1-2H3
InChIKeyQKFBUPHDXVEOSS-UHFFFAOYSA-N
MW308.46 g/mol
LogP3.60
Rot. Bonds4

About 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 8751448) has the molecular formula C12H12N4S3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID8751448
Molecular FormulaC12H12N4S3
Molecular Weight308.46 g/mol
Exact Mass308.02
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCc1nnc(SCc2csc(-c3ccsc3)n2)n1C
InChIInChI=1S/C12H12N4S3/c1-8-14-15-12(16(8)2)19-7-10-6-18-11(13-10)9-3-4-17-5-9/h3-6H,7H2,1-2H3
InChIKeyQKFBUPHDXVEOSS-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8880989
4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 27931128
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8747825
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 30764305
4-[4-ethyl-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8946100
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 36750966
4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 19726756
4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 30036894
4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8841500
2-thiophen-3-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 134010875
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8684313

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (CID 8751448) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is Cc1nnc(SCc2csc(-c3ccsc3)n2)n1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is QKFBUPHDXVEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S3/c1-8-14-15-12(16(8)2)19-7-10-6-18-11(13-10)9-3-4-17-5-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 308.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 8751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).