N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide

C15H15N5OS — CID 118715030

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide
SMILESNCc1csc(NC(=O)c2ccnn2Cc2ccccc2)n1
InChIInChI=1S/C15H15N5OS/c16-8-12-10-22-15(18-12)19-14(21)13-6-7-17-20(13)9-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,18,19,21)
InChIKeyJPVZFINVBRAXTN-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.10
Rot. Bonds5

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide (PubChem CID 118715030) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide
PubChem CID118715030
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide
SMILESNCc1csc(NC(=O)c2ccnn2Cc2ccccc2)n1
InChIInChI=1S/C15H15N5OS/c16-8-12-10-22-15(18-12)19-14(21)13-6-7-17-20(13)9-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,18,19,21)
InChIKeyJPVZFINVBRAXTN-UHFFFAOYSA-N
XLogP2.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
1-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 998685
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-nitropyrazole-3-carboxamide
CID 999259
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1223459
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 2660429
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 145489195
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide (CID 118715030) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide is NCc1csc(NC(=O)c2ccnn2Cc2ccccc2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide?
The InChIKey is JPVZFINVBRAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-8-12-10-22-15(18-12)19-14(21)13-6-7-17-20(13)9-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,18,19,21).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide is sourced from PubChem (CID 118715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).