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

C16H16FN5OS — CID 95980120

IUPACN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Cn1cncn1
InChIInChI=1S/C16H16FN5OS/c1-10(20-14(23)7-22-9-18-8-19-22)15-11(2)21-16(24-15)12-5-3-4-6-13(12)17/h3-6,8-10H,7H2,1-2H3,(H,20,23)/t10-/m1/s1
InChIKeyNZRLSSLLWJSMDP-SNVBAGLBSA-N
MW345.40 g/mol
LogP2.73
Rot. Bonds5

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

N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 95980120) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID95980120
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC NameN-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Cn1cncn1
InChIInChI=1S/C16H16FN5OS/c1-10(20-14(23)7-22-9-18-8-19-22)15-11(2)21-16(24-15)12-5-3-4-6-13(12)17/h3-6,8-10H,7H2,1-2H3,(H,20,23)/t10-/m1/s1
InChIKeyNZRLSSLLWJSMDP-SNVBAGLBSA-N
XLogP2.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 95980120) is N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Cn1cncn1.
What is the InChIKey of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is NZRLSSLLWJSMDP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-10(20-14(23)7-22-9-18-8-19-22)15-11(2)21-16(24-15)12-5-3-4-6-13(12)17/h3-6,8-10H,7H2,1-2H3,(H,20,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 95980120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).