N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

C19H23N5OS — CID 56643478

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)
InChIKeyXCKWZWHQTKSVSW-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.40
Rot. Bonds5

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (PubChem CID 56643478) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
PubChem CID56643478
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25)
InChIKeyXCKWZWHQTKSVSW-UHFFFAOYSA-N
XLogP3.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1223459
N-{4'-methyl-2-[(2-phenylethyl)amino]-4,5'-bi-1,3-thiazol-2'-yl}benzamide
CID 1300179
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649052
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 155530174
2-[(1-methyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968116

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide (CID 56643478) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
The InChIKey is XCKWZWHQTKSVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,3)16-9-15(17(25)22-18-21-14(10-20)12-26-18)24(23-16)11-13-7-5-4-6-8-13/h4-9,12H,10-11,20H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.40, 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]-1-benzyl-3-tert-butylpyrazole-5-carboxamide is sourced from PubChem (CID 56643478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).