N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide

C13H9ClFN5OS — CID 51093193

IUPACN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C13H9ClFN5OS/c14-9-3-8(1-2-10(9)15)11-5-22-13(18-11)19-12(21)4-20-7-16-6-17-20/h1-3,5-7H,4H2,(H,18,19,21)
InChIKeyAPZMEMIBALEJHW-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.83
Rot. Bonds4

About N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51093193) has the molecular formula C13H9ClFN5OS and a molecular weight of 337.77 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51093193
Molecular FormulaC13H9ClFN5OS
Molecular Weight337.77 g/mol
Exact Mass337.02
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C13H9ClFN5OS/c14-9-3-8(1-2-10(9)15)11-5-22-13(18-11)19-12(21)4-20-7-16-6-17-20/h1-3,5-7H,4H2,(H,18,19,21)
InChIKeyAPZMEMIBALEJHW-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2409358
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420018
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 16264651
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 16307016
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 60490601
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 767227
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 334416
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2222467
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2224938

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 51093193) is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is APZMEMIBALEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5OS/c14-9-3-8(1-2-10(9)15)11-5-22-13(18-11)19-12(21)4-20-7-16-6-17-20/h1-3,5-7H,4H2,(H,18,19,21).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 337.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51093193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).