2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide

C10H7ClFN3OS — CID 141271049

IUPAC2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C10H7ClFN3OS/c11-6-2-1-5(3-7(6)12)15-9(16)8-4-14-10(13)17-8/h1-4H,(H2,13,14)(H,15,16)
InChIKeySKTQYRICMZJSDM-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.77
Rot. Bonds2

About 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 141271049) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID141271049
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C10H7ClFN3OS/c11-6-2-1-5(3-7(6)12)15-9(16)8-4-14-10(13)17-8/h1-4H,(H2,13,14)(H,15,16)
InChIKeySKTQYRICMZJSDM-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 141271049) is 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)Nc2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SKTQYRICMZJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c11-6-2-1-5(3-7(6)12)15-9(16)8-4-14-10(13)17-8/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(4-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-(4-chloro-3-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141271049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).