7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide

C16H24N4O2S — CID 122149386

IUPAC7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)N1
InChIInChI=1S/C16H24N4O2S/c21-14-7-3-2-6-13(18-14)15(22)19-16-17-12(11-23-16)10-20-8-4-1-5-9-20/h11,13H,1-10H2,(H,18,21)(H,17,19,22)
InChIKeyJEZYZNJTYVWSEF-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.13
Rot. Bonds4

About 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide

7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide (PubChem CID 122149386) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide
PubChem CID122149386
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)N1
InChIInChI=1S/C16H24N4O2S/c21-14-7-3-2-6-13(18-14)15(22)19-16-17-12(11-23-16)10-20-8-4-1-5-9-20/h11,13H,1-10H2,(H,18,21)(H,17,19,22)
InChIKeyJEZYZNJTYVWSEF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3,7-diamino-N-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]heptanamide;hydrobromide
CID 45261043
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]thiazole-4-carboxamide
CID 482919
1-{4-[4-(1-Azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone
CID 53158735
{4-[4-(1-Azepanylmethyl)-1,3-thiazol-2-yl]piperazino}(cyclopropyl)methanone
CID 53158736
N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 47029935
2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 47187069
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-azepan-1-ylacetamide
CID 50978068
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 75418835
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 86784120
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 124751903

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide?
The IUPAC name of 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide (CID 122149386) is 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide.
What is the SMILES notation for 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide?
The canonical SMILES for 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide is O=C1CCCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)N1.
What is the InChIKey of 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide?
The InChIKey is JEZYZNJTYVWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-14-7-3-2-6-13(18-14)15(22)19-16-17-12(11-23-16)10-20-8-4-1-5-9-20/h11,13H,1-10H2,(H,18,21)(H,17,19,22).
What are the key properties of 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide?
7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]azepane-2-carboxamide is sourced from PubChem (CID 122149386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).