N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

C13H8F2N4OS — CID 71969368

IUPACN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cscn1
InChIInChI=1S/C13H8F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-6H,(H2,17,18,19,20)
InChIKeyGCVPEXIMXXXPAX-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.06
Rot. Bonds3

About N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71969368) has the molecular formula C13H8F2N4OS and a molecular weight of 306.30 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID71969368
Molecular FormulaC13H8F2N4OS
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cscn1
InChIInChI=1S/C13H8F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-6H,(H2,17,18,19,20)
InChIKeyGCVPEXIMXXXPAX-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 59758149
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135416948
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
(5-Amino-3-phenylpyrazol-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 72195689
(3-Anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1,3-thiazol-4-yl)methanone
CID 95828804
2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117085954
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118335540
2-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 1498195
2-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N'-(3-pyridinylmethylene)-1,3-thiazole-4-carbohydrazide
CID 9619420
N-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
CID 25281829
(Z)-N-(1-(4-(4-fluorophenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)but-2-enamide
CID 25281846

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 71969368) is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cscn1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GCVPEXIMXXXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4OS/c14-8-3-1-2-7(12(8)15)9-4-11(19-18-9)17-13(20)10-5-21-6-16-10/h1-6H,(H2,17,18,19,20).
What are the key properties of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).