3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C16H26N4OS — CID 119831162

IUPAC3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)C3CCC(N)C3)n2)C1
InChIInChI=1S/C16H26N4OS/c1-11-3-2-6-20(8-11)9-14-10-22-16(18-14)19-15(21)12-4-5-13(17)7-12/h10-13H,2-9,17H2,1H3,(H,18,19,21)
InChIKeyGAENEIVDHMLEKG-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.44
Rot. Bonds4

About 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119831162) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119831162
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)C3CCC(N)C3)n2)C1
InChIInChI=1S/C16H26N4OS/c1-11-3-2-6-20(8-11)9-14-10-22-16(18-14)19-15(21)12-4-5-13(17)7-12/h10-13H,2-9,17H2,1H3,(H,18,19,21)
InChIKeyGAENEIVDHMLEKG-UHFFFAOYSA-N
XLogP2.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 46680102
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
(2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120797004
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
CID 119831153
1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 24586666
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
CID 51860796
3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119831165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 119831162) is 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is CC1CCCN(Cc2csc(NC(=O)C3CCC(N)C3)n2)C1.
What is the InChIKey of 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is GAENEIVDHMLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-11-3-2-6-20(8-11)9-14-10-22-16(18-14)19-15(21)12-4-5-13(17)7-12/h10-13H,2-9,17H2,1H3,(H,18,19,21).
What are the key properties of 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119831162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).