methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate

C16H17N3O5S — CID 18103775

IUPACmethyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H17N3O5S/c1-23-15(22)12-9-17-16(25-12)18-13(20)10-4-6-19(7-5-10)14(21)11-3-2-8-24-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,20)
InChIKeyZVAHEWRQMTZPHW-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103775) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103775
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Namemethyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H17N3O5S/c1-23-15(22)12-9-17-16(25-12)18-13(20)10-4-6-19(7-5-10)14(21)11-3-2-8-24-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,20)
InChIKeyZVAHEWRQMTZPHW-UHFFFAOYSA-N
XLogP2.01
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 39189511
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
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-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564148
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-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 18103775) is methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZVAHEWRQMTZPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-23-15(22)12-9-17-16(25-12)18-13(20)10-4-6-19(7-5-10)14(21)11-3-2-8-24-11/h2-3,8-10H,4-7H2,1H3,(H,17,18,20).
What are the key properties of methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 363.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).