2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide

C10H7ClFN3OS — CID 62788574

IUPAC2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Cl)cc2F)cs1
InChIInChI=1S/C10H7ClFN3OS/c11-5-1-2-7(6(12)3-5)14-9(16)8-4-17-10(13)15-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyYZHFTAYFPPEAKS-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62788574) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62788574
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Cl)cc2F)cs1
InChIInChI=1S/C10H7ClFN3OS/c11-5-1-2-7(6(12)3-5)14-9(16)8-4-17-10(13)15-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyYZHFTAYFPPEAKS-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
methyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-chlorobenzoate
CID 62787676
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-fluorobenzoate
CID 62786661
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
2-amino-N-(4-fluoro-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62787167
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 62788574) is 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(Cl)cc2F)cs1.
What is the InChIKey of 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YZHFTAYFPPEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-5-1-2-7(6(12)3-5)14-9(16)8-4-17-10(13)15-8/h1-4H,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).