2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide

C14H14F3N3OS2 — CID 120634539

IUPAC2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2cc(F)ccc2SCC(F)F)cs1
InChIInChI=1S/C14H14F3N3OS2/c15-8-1-2-11(22-7-12(16)17)9(5-8)20-14(21)10-6-23-13(19-10)3-4-18/h1-2,5-6,12H,3-4,7,18H2,(H,20,21)
InChIKeyNRSBSSVTDNDOFD-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.39
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120634539) has the molecular formula C14H14F3N3OS2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
PubChem CID120634539
Molecular FormulaC14H14F3N3OS2
Molecular Weight361.41 g/mol
Exact Mass361.05
IUPAC Name2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2cc(F)ccc2SCC(F)F)cs1
InChIInChI=1S/C14H14F3N3OS2/c15-8-1-2-11(22-7-12(16)17)9(5-8)20-14(21)10-6-23-13(19-10)3-4-18/h1-2,5-6,12H,3-4,7,18H2,(H,20,21)
InChIKeyNRSBSSVTDNDOFD-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide 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

2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120635551
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-bromobenzoic acid
CID 66388543
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide (CID 120634539) is 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2cc(F)ccc2SCC(F)F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NRSBSSVTDNDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS2/c15-8-1-2-11(22-7-12(16)17)9(5-8)20-14(21)10-6-23-13(19-10)3-4-18/h1-2,5-6,12H,3-4,7,18H2,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120634539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).