N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

C16H24N4O2S — CID 51083310

IUPACN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc(CN3CCCCCC3)cs2)CN1
InChIInChI=1S/C16H24N4O2S/c21-14-6-5-12(9-17-14)15(22)19-16-18-13(11-23-16)10-20-7-3-1-2-4-8-20/h11-12H,1-10H2,(H,17,21)(H,18,19,22)
InChIKeyWXHOXBBYJSMLJN-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.98
Rot. Bonds4

About N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 51083310) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID51083310
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2nc(CN3CCCCCC3)cs2)CN1
InChIInChI=1S/C16H24N4O2S/c21-14-6-5-12(9-17-14)15(22)19-16-18-13(11-23-16)10-20-7-3-1-2-4-8-20/h11-12H,1-10H2,(H,17,21)(H,18,19,22)
InChIKeyWXHOXBBYJSMLJN-UHFFFAOYSA-N
XLogP1.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 73339086
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119998726
(3S)-1-(4-methylphenyl)-5-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 30135085
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 83193718
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 46699176

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (CID 51083310) is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2nc(CN3CCCCCC3)cs2)CN1.
What is the InChIKey of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WXHOXBBYJSMLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-14-6-5-12(9-17-14)15(22)19-16-18-13(11-23-16)10-20-7-3-1-2-4-8-20/h11-12H,1-10H2,(H,17,21)(H,18,19,22).
What are the key properties of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 51083310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).