1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

C18H17N3O3S — CID 75463459

IUPAC1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H17N3O3S/c19-16(22)13-6-3-4-8-21(13)18(23)12-10-25-17(20-12)15-9-11-5-1-2-7-14(11)24-15/h1-2,5,7,9-10,13H,3-4,6,8H2,(H2,19,22)
InChIKeyNSICTLKGYJIBHL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (PubChem CID 75463459) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
PubChem CID75463459
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H17N3O3S/c19-16(22)13-6-3-4-8-21(13)18(23)12-10-25-17(20-12)15-9-11-5-1-2-7-14(11)24-15/h1-2,5,7,9-10,13H,3-4,6,8H2,(H2,19,22)
InChIKeyNSICTLKGYJIBHL-UHFFFAOYSA-N
XLogP3.04
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 51962685
(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 32598903
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889629
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (CID 75463459) is 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
The InChIKey is NSICTLKGYJIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-16(22)13-6-3-4-8-21(13)18(23)12-10-25-17(20-12)15-9-11-5-1-2-7-14(11)24-15/h1-2,5,7,9-10,13H,3-4,6,8H2,(H2,19,22).
What are the key properties of 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?
1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 75463459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).