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

C17H20N4S2 — CID 2534042

IUPAC5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C
InChIInChI=1S/C17H20N4S2/c1-11(2)13-5-7-14(8-6-13)16-18-9-15(23-16)10-22-17-20-19-12(3)21(17)4/h5-9,11H,10H2,1-4H3
InChIKeyJTZHNTLGXDVGPR-UHFFFAOYSA-N
MW344.51 g/mol
LogP4.66
Rot. Bonds5

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

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 2534042) has the molecular formula C17H20N4S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID2534042
Molecular FormulaC17H20N4S2
Molecular Weight344.51 g/mol
Exact Mass344.11
IUPAC Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C
InChIInChI=1S/C17H20N4S2/c1-11(2)13-5-7-14(8-6-13)16-18-9-15(23-16)10-22-17-20-19-12(3)21(17)4/h5-9,11H,10H2,1-4H3
InChIKeyJTZHNTLGXDVGPR-UHFFFAOYSA-N
XLogP4.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(2-propynylsulfanyl)-4H-1,2,4-triazole
CID 4268460
4-({[4-benzyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
CID 11257049
CID 121304493
CID 121304493
(2R,3S)-5-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-phenyl-5-azaspiro[2.4]heptane
CID 121315331
CID 132156266
CID 132156266
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(methylsulfanyl)-4H-1,2,4-triazole
CID 1478785
5-[[4-(2-Methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2497201
1-[[4-Ethyl-5-[(2-phenyl-1,3-thiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 2539413
2-Phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 4879558
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(thiazol-2-yl)phenyl)-4H-1,2,4-triazole
CID 44576805
2-(4-Benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650845
allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
CID 3535025

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 2534042) is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is Cc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is JTZHNTLGXDVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S2/c1-11(2)13-5-7-14(8-6-13)16-18-9-15(23-16)10-22-17-20-19-12(3)21(17)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 344.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 2534042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).