N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

C26H25N5O2S — CID 16559461

IUPACN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1
InChIInChI=1S/C26H25N5O2S/c1-17(32)27-14-13-18-7-9-20(10-8-18)23-16-34-26(28-23)29-25(33)24-15-22(19-11-12-19)30-31(24)21-5-3-2-4-6-21/h2-10,15-16,19H,11-14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeySBAHYZYLYRWKRI-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (PubChem CID 16559461) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
PubChem CID16559461
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1
InChIInChI=1S/C26H25N5O2S/c1-17(32)27-14-13-18-7-9-20(10-8-18)23-16-34-26(28-23)29-25(33)24-15-22(19-11-12-19)30-31(24)21-5-3-2-4-6-21/h2-10,15-16,19H,11-14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeySBAHYZYLYRWKRI-UHFFFAOYSA-N
XLogP4.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 8023461
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
CID 18127750
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 24586199
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 17465456

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (CID 16559461) is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is SBAHYZYLYRWKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17(32)27-14-13-18-7-9-20(10-8-18)23-16-34-26(28-23)29-25(33)24-15-22(19-11-12-19)30-31(24)21-5-3-2-4-6-21/h2-10,15-16,19H,11-14H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 16559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).