1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C21H21N3O3S — CID 39189511

IUPAC1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)sc1-c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-14-18(15-6-3-2-4-7-15)28-21(22-14)23-19(25)16-9-11-24(12-10-16)20(26)17-8-5-13-27-17/h2-8,13,16H,9-12H2,1H3,(H,22,23,25)
InChIKeySNEHPEXMCGHFJG-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.20
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 39189511) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID39189511
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)sc1-c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-14-18(15-6-3-2-4-7-15)28-21(22-14)23-19(25)16-9-11-24(12-10-16)20(26)17-8-5-13-27-17/h2-8,13,16H,9-12H2,1H3,(H,22,23,25)
InChIKeySNEHPEXMCGHFJG-UHFFFAOYSA-N
XLogP4.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
1-(furan-2-carbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 6463050
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
1-(furan-2-carbonyl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46662231
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 18103775
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 39189511) is 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1nc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)sc1-c1ccccc1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is SNEHPEXMCGHFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-18(15-6-3-2-4-7-15)28-21(22-14)23-19(25)16-9-11-24(12-10-16)20(26)17-8-5-13-27-17/h2-8,13,16H,9-12H2,1H3,(H,22,23,25).
What are the key properties of 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 39189511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).