2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C20H28N4OS — CID 119862945

IUPAC2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3csc(CN)n3)CC2)cc1
InChIInChI=1S/C20H28N4OS/c1-20(2,3)14-4-6-16(7-5-14)24-10-8-15(9-11-24)22-19(25)17-13-26-18(12-21)23-17/h4-7,13,15H,8-12,21H2,1-3H3,(H,22,25)
InChIKeyNBAWLICLWHHJKT-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.30
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 119862945) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID119862945
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3csc(CN)n3)CC2)cc1
InChIInChI=1S/C20H28N4OS/c1-20(2,3)14-4-6-16(7-5-14)24-10-8-15(9-11-24)22-19(25)17-13-26-18(12-21)23-17/h4-7,13,15H,8-12,21H2,1-3H3,(H,22,25)
InChIKeyNBAWLICLWHHJKT-UHFFFAOYSA-N
XLogP3.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 124612387
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 119862945) is 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC(C)(C)c1ccc(N2CCC(NC(=O)c3csc(CN)n3)CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NBAWLICLWHHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-20(2,3)14-4-6-16(7-5-14)24-10-8-15(9-11-24)22-19(25)17-13-26-18(12-21)23-17/h4-7,13,15H,8-12,21H2,1-3H3,(H,22,25).
What are the key properties of 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119862945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).