2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C12H10F3N3OS2 — CID 62797826

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(SC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3N3OS2/c13-12(14,15)21-9-3-1-7(2-4-9)17-10(19)5-8-6-20-11(16)18-8/h1-4,6H,5H2,(H2,16,18)(H,17,19)
InChIKeyLANJMJFIKROMAC-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 62797826) has the molecular formula C12H10F3N3OS2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID62797826
Molecular FormulaC12H10F3N3OS2
Molecular Weight333.36 g/mol
Exact Mass333.02
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(SC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3N3OS2/c13-12(14,15)21-9-3-1-7(2-4-9)17-10(19)5-8-6-20-11(16)18-8/h1-4,6H,5H2,(H2,16,18)(H,17,19)
InChIKeyLANJMJFIKROMAC-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(3-methylbutyl)phenyl]acetamide
CID 167218752
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(2-amino-1,3-thiazol-4-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 62797643
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 62797826) is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is Nc1nc(CC(=O)Nc2ccc(SC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is LANJMJFIKROMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS2/c13-12(14,15)21-9-3-1-7(2-4-9)17-10(19)5-8-6-20-11(16)18-8/h1-4,6H,5H2,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 62797826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).