1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide

C16H26N4O2S — CID 119763251

IUPAC1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C16H26N4O2S/c1-3-5-11(2)18-15(21)12-6-4-7-20(9-12)16(22)13-10-23-14(8-17)19-13/h10-12H,3-9,17H2,1-2H3,(H,18,21)
InChIKeyRSCAROQBCPDNII-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.76
Rot. Bonds6

About 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 119763251) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID119763251
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C16H26N4O2S/c1-3-5-11(2)18-15(21)12-6-4-7-20(9-12)16(22)13-10-23-14(8-17)19-13/h10-12H,3-9,17H2,1-2H3,(H,18,21)
InChIKeyRSCAROQBCPDNII-UHFFFAOYSA-N
XLogP1.76
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 119807836
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]butanoic acid
CID 81047506
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 119798418
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496
N-[[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 66375528
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-tert-butylazepan-1-yl)methanone;hydrochloride
CID 119787768
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 119763251) is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is RSCAROQBCPDNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-5-11(2)18-15(21)12-6-4-7-20(9-12)16(22)13-10-23-14(8-17)19-13/h10-12H,3-9,17H2,1-2H3,(H,18,21).
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119763251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).