N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C16H16FN5OS2 — CID 6495825

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)sc1C
InChIInChI=1S/C16H16FN5OS2/c1-9-10(2)25-15(18-9)19-13(23)8-24-16-21-20-14(22(16)3)11-6-4-5-7-12(11)17/h4-7H,8H2,1-3H3,(H,18,19,23)
InChIKeyCKONMHICTHRKOE-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.43
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6495825) has the molecular formula C16H16FN5OS2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6495825
Molecular FormulaC16H16FN5OS2
Molecular Weight377.47 g/mol
Exact Mass377.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)sc1C
InChIInChI=1S/C16H16FN5OS2/c1-9-10(2)25-15(18-9)19-13(23)8-24-16-21-20-14(22(16)3)11-6-4-5-7-12(11)17/h4-7H,8H2,1-3H3,(H,18,19,23)
InChIKeyCKONMHICTHRKOE-UHFFFAOYSA-N
XLogP3.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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

CID 645763
CID 645763
CID 861927
CID 861927
CID 1155032
CID 1155032
CID 648381
CID 648381
CID 648616
CID 648616
CID 650828
CID 650828
CID 653401
CID 653401
CID 865398
CID 865398
CID 4268460
CID 4268460
CID 11595292
CID 11595292
CID 647429
CID 647429
CID 651614
CID 651614

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6495825) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is CKONMHICTHRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS2/c1-9-10(2)25-15(18-9)19-13(23)8-24-16-21-20-14(22(16)3)11-6-4-5-7-12(11)17/h4-7H,8H2,1-3H3,(H,18,19,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6495825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).