N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide

C21H17N5O2S — CID 17465456

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C21H17N5O2S/c22-19(27)11-15-13-29-21(23-15)24-20(28)18-12-17(14-7-3-1-4-8-14)25-26(18)16-9-5-2-6-10-16/h1-10,12-13H,11H2,(H2,22,27)(H,23,24,28)
InChIKeyUVQKCRIVMMKACN-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.28
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 17465456) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID17465456
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1
InChIInChI=1S/C21H17N5O2S/c22-19(27)11-15-13-29-21(23-15)24-20(28)18-12-17(14-7-3-1-4-8-14)25-26(18)16-9-5-2-6-10-16/h1-10,12-13H,11H2,(H2,22,27)(H,23,24,28)
InChIKeyUVQKCRIVMMKACN-UHFFFAOYSA-N
XLogP3.28
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(1-phenyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 52900111
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 29289363
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 39025686
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 16559461
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39098345

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide (CID 17465456) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide is NC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is UVQKCRIVMMKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c22-19(27)11-15-13-29-21(23-15)24-20(28)18-12-17(14-7-3-1-4-8-14)25-26(18)16-9-5-2-6-10-16/h1-10,12-13H,11H2,(H2,22,27)(H,23,24,28).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 17465456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).