1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide

C21H24N4O3S — CID 49352343

IUPAC1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)cs1)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c26-18(25-10-4-7-15(12-25)20(28)22-16-8-9-16)11-17-13-29-21(23-17)24-19(27)14-5-2-1-3-6-14/h1-3,5-6,13,15-16H,4,7-12H2,(H,22,28)(H,23,24,27)
InChIKeyLGGSNOMTFXVIDD-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide

1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 49352343) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID49352343
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)cs1)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c26-18(25-10-4-7-15(12-25)20(28)22-16-8-9-16)11-17-13-29-21(23-17)24-19(27)14-5-2-1-3-6-14/h1-3,5-6,13,15-16H,4,7-12H2,(H,22,28)(H,23,24,27)
InChIKeyLGGSNOMTFXVIDD-UHFFFAOYSA-N
XLogP2.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659
ethyl 1-[2-[2-(pyrimidine-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 121032577
2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 119493531
N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38199475
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881593
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide (CID 49352343) is 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(Nc1nc(CC(=O)N2CCCC(C(=O)NC3CC3)C2)cs1)c1ccccc1.
What is the InChIKey of 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is LGGSNOMTFXVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-18(25-10-4-7-15(12-25)20(28)22-16-8-9-16)11-17-13-29-21(23-17)24-19(27)14-5-2-1-3-6-14/h1-3,5-6,13,15-16H,4,7-12H2,(H,22,28)(H,23,24,27).
What are the key properties of 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide?
1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 49352343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).