1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide

C13H21N5O2S — CID 56796137

IUPAC1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)Nc2nccs2)CC1
InChIInChI=1S/C13H21N5O2S/c14-11(19)10-2-7-18(8-3-10)6-1-4-15-12(20)17-13-16-5-9-21-13/h5,9-10H,1-4,6-8H2,(H2,14,19)(H2,15,16,17,20)
InChIKeyUYFFJRZHAUUOBX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.85
Rot. Bonds6

About 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide

1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide (PubChem CID 56796137) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
PubChem CID56796137
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)Nc2nccs2)CC1
InChIInChI=1S/C13H21N5O2S/c14-11(19)10-2-7-18(8-3-10)6-1-4-15-12(20)17-13-16-5-9-21-13/h5,9-10H,1-4,6-8H2,(H2,14,19)(H2,15,16,17,20)
InChIKeyUYFFJRZHAUUOBX-UHFFFAOYSA-N
XLogP0.85
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide
CID 6462725
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-thiazol-2-yl-thiourea
CID 3003037
N-cyclohexyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 656358
N-Cyclohexyl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205668
2-(4-Acetylamino-piperidin-1-yl)-N-thiazol-2-yl-acetamide
CID 3220976
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276
N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188
(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
6-isopropyl-2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 168679298
N1-(3-(2-oxopyrrolidin-1-yl)propyl)-N2-(thiazol-2-yl)oxalamide
CID 18588848

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide (CID 56796137) is 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCNC(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide?
The InChIKey is UYFFJRZHAUUOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-11(19)10-2-7-18(8-3-10)6-1-4-15-12(20)17-13-16-5-9-21-13/h5,9-10H,1-4,6-8H2,(H2,14,19)(H2,15,16,17,20).
What are the key properties of 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide?
1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 56796137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).