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

C10H7ClFN3OS — CID 62788368

IUPAC2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H7ClFN3OS/c11-6-3-5(1-2-7(6)12)14-9(16)8-4-17-10(13)15-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyGZFZYPIFIXPNBV-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.77
Rot. Bonds2

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

2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62788368) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62788368
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C10H7ClFN3OS/c11-6-3-5(1-2-7(6)12)14-9(16)8-4-17-10(13)15-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyGZFZYPIFIXPNBV-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-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 62788368) is 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GZFZYPIFIXPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-6-3-5(1-2-7(6)12)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-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).