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

C14H11ClFN5OS — CID 144595216

IUPAC5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3cc(Cl)ccc3F)sc2N)cn1
InChIInChI=1S/C14H11ClFN5OS/c1-21-6-8(5-18-21)19-13(22)11-12(17)23-14(20-11)9-4-7(15)2-3-10(9)16/h2-6H,17H2,1H3,(H,19,22)
InChIKeyPHARXOQHXBPHCC-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.17
Rot. Bonds3

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

5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144595216) has the molecular formula C14H11ClFN5OS and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID144595216
Molecular FormulaC14H11ClFN5OS
Molecular Weight351.79 g/mol
Exact Mass351.04
IUPAC Name5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3cc(Cl)ccc3F)sc2N)cn1
InChIInChI=1S/C14H11ClFN5OS/c1-21-6-8(5-18-21)19-13(22)11-12(17)23-14(20-11)9-4-7(15)2-3-10(9)16/h2-6H,17H2,1H3,(H,19,22)
InChIKeyPHARXOQHXBPHCC-UHFFFAOYSA-N
XLogP3.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595281
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482900
5-amino-N-[1-(2-aminoethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58465073
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464949
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
5-amino-2-(2,6-difluorophenyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482901
2-[2-(2-chloro-3-fluorophenyl)-3-fluorophenyl]-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595351
5-amino-2-(2-fluorophenyl)-N-[5-(4-hydroxy-4-methylazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464757
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 144595216) is 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2nc(-c3cc(Cl)ccc3F)sc2N)cn1.
What is the InChIKey of 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PHARXOQHXBPHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5OS/c1-21-6-8(5-18-21)19-13(22)11-12(17)23-14(20-11)9-4-7(15)2-3-10(9)16/h2-6H,17H2,1H3,(H,19,22).
What are the key properties of 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144595216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).