1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C18H24N4O3S — CID 84566465

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)NCc3ccco3)C2)sc1C
InChIInChI=1S/C18H24N4O3S/c1-12-13(2)26-18(20-12)21-16(23)11-22-7-3-5-14(10-22)17(24)19-9-15-6-4-8-25-15/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyDCZSVTRXQUGRSG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 84566465) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID84566465
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)NCc3ccco3)C2)sc1C
InChIInChI=1S/C18H24N4O3S/c1-12-13(2)26-18(20-12)21-16(23)11-22-7-3-5-14(10-22)17(24)19-9-15-6-4-8-25-15/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyDCZSVTRXQUGRSG-UHFFFAOYSA-N
XLogP2.32
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 84567078
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 84563681
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 84563668
N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563615
N-(2,3-dimethylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563614
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 84564183
N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84567118
N-(3-chloro-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563684
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-propoxy-2-pyridinyl)piperidine-3-carboxamide
CID 84563490

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 84566465) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)NCc3ccco3)C2)sc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is DCZSVTRXQUGRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-13(2)26-18(20-12)21-16(23)11-22-7-3-5-14(10-22)17(24)19-9-15-6-4-8-25-15/h4,6,8,14H,3,5,7,9-11H2,1-2H3,(H,19,24)(H,20,21,23).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 84566465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).