N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide

C16H27N5OS — CID 72937895

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CCCN(C2CCCC2)C1)c1nnc(N)s1
InChIInChI=1S/C16H27N5OS/c1-16(2,14-19-20-15(17)23-14)18-13(22)11-6-5-9-21(10-11)12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H2,17,20)(H,18,22)
InChIKeyCIBWIWCJUTWONV-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide (PubChem CID 72937895) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide
PubChem CID72937895
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CCCN(C2CCCC2)C1)c1nnc(N)s1
InChIInChI=1S/C16H27N5OS/c1-16(2,14-19-20-15(17)23-14)18-13(22)11-6-5-9-21(10-11)12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H2,17,20)(H,18,22)
InChIKeyCIBWIWCJUTWONV-UHFFFAOYSA-N
XLogP2.13
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97188368
1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 132846571
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
CID 74231643
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
5-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 154565619
1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 136512712
(3R)-N-(2-methylbutan-2-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95563496
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide (CID 72937895) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide is CC(C)(NC(=O)C1CCCN(C2CCCC2)C1)c1nnc(N)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide?
The InChIKey is CIBWIWCJUTWONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-16(2,14-19-20-15(17)23-14)18-13(22)11-6-5-9-21(10-11)12-7-3-4-8-12/h11-12H,3-10H2,1-2H3,(H2,17,20)(H,18,22).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide is sourced from PubChem (CID 72937895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).