N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide

C20H16N4OS — CID 11473880

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cs1
InChIInChI=1S/C20H16N4OS/c1-14-21-18(13-26-14)20(25)22-19-12-17(15-8-4-2-5-9-15)23-24(19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,25)
InChIKeyMGHUSSVEEFMYET-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.56
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide

N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 11473880) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID11473880
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cs1
InChIInChI=1S/C20H16N4OS/c1-14-21-18(13-26-14)20(25)22-19-12-17(15-8-4-2-5-9-15)23-24(19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,25)
InChIKeyMGHUSSVEEFMYET-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)thieno[2,3-b]thiophene-5-carboxamide
CID 11223352
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 11473880) is N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cs1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MGHUSSVEEFMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-21-18(13-26-14)20(25)22-19-12-17(15-8-4-2-5-9-15)23-24(19)16-10-6-3-7-11-16/h2-13H,1H3,(H,22,25).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11473880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).