2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C14H24N4OS — CID 66377431

IUPAC2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCN1CCC(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-6-18-7-4-11(5-8-18)16-14(19)12-10-20-13(9-15)17-12/h10-11H,2-9,15H2,1H3,(H,16,19)
InChIKeyFYUWQBSUPFQFOC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.60
Rot. Bonds6

About 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66377431) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID66377431
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCN1CCC(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-6-18-7-4-11(5-8-18)16-14(19)12-10-20-13(9-15)17-12/h10-11H,2-9,15H2,1H3,(H,16,19)
InChIKeyFYUWQBSUPFQFOC-UHFFFAOYSA-N
XLogP1.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.60
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-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347
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
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119887541
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119887540

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 66377431) is 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CCCCN1CCC(NC(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FYUWQBSUPFQFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-3-6-18-7-4-11(5-8-18)16-14(19)12-10-20-13(9-15)17-12/h10-11H,2-9,15H2,1H3,(H,16,19).
What are the key properties of 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).