2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide

C15H15ClFN3O2S — CID 97309960

IUPAC2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1csc(Cl)n1
InChIInChI=1S/C15H15ClFN3O2S/c16-15-20-13(8-23-15)14(21)19-9-3-4-12(11(17)6-9)18-7-10-2-1-5-22-10/h3-4,6,8,10,18H,1-2,5,7H2,(H,19,21)/t10-/m0/s1
InChIKeyFLWSLKFAHPBKEQ-JTQLQIEISA-N
MW355.82 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide

2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 97309960) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID97309960
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Name2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1csc(Cl)n1
InChIInChI=1S/C15H15ClFN3O2S/c16-15-20-13(8-23-15)14(21)19-9-3-4-12(11(17)6-9)18-7-10-2-1-5-22-10/h3-4,6,8,10,18H,1-2,5,7H2,(H,19,21)/t10-/m0/s1
InChIKeyFLWSLKFAHPBKEQ-JTQLQIEISA-N
XLogP3.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-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

4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 99626102
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide (CID 97309960) is 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FLWSLKFAHPBKEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c16-15-20-13(8-23-15)14(21)19-9-3-4-12(11(17)6-9)18-7-10-2-1-5-22-10/h3-4,6,8,10,18H,1-2,5,7H2,(H,19,21)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide?
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97309960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).