2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide

C10H7ClFN3OS — CID 141271011

IUPAC2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(F)c2Cl)s1
InChIInChI=1S/C10H7ClFN3OS/c11-8-5(12)2-1-3-6(8)15-9(16)7-4-14-10(13)17-7/h1-4H,(H2,13,14)(H,15,16)
InChIKeyOIZUIRSBQQJFBB-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 141271011) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID141271011
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(F)c2Cl)s1
InChIInChI=1S/C10H7ClFN3OS/c11-8-5(12)2-1-3-6(8)15-9(16)7-4-14-10(13)17-7/h1-4H,(H2,13,14)(H,15,16)
InChIKeyOIZUIRSBQQJFBB-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-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
2-amino-N-(2-iodo-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 88855816
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 86063814

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 141271011) is 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)Nc2cccc(F)c2Cl)s1.
What is the InChIKey of 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OIZUIRSBQQJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-8-5(12)2-1-3-6(8)15-9(16)7-4-14-10(13)17-7/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-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-(2-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).