3-(1,3-thiazol-2-yl)azepane-1-carboxamide

C10H15N3OS — CID 67258050

IUPAC3-(1,3-thiazol-2-yl)azepane-1-carboxamide
SMILESNC(=O)N1CCCCC(c2nccs2)C1
InChIInChI=1S/C10H15N3OS/c11-10(14)13-5-2-1-3-8(7-13)9-12-4-6-15-9/h4,6,8H,1-3,5,7H2,(H2,11,14)
InChIKeyMWITYFYSNMJVNQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.79
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)azepane-1-carboxamide

3-(1,3-thiazol-2-yl)azepane-1-carboxamide (PubChem CID 67258050) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)azepane-1-carboxamide
PubChem CID67258050
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(1,3-thiazol-2-yl)azepane-1-carboxamide
SMILESNC(=O)N1CCCCC(c2nccs2)C1
InChIInChI=1S/C10H15N3OS/c11-10(14)13-5-2-1-3-8(7-13)9-12-4-6-15-9/h4,6,8H,1-3,5,7H2,(H2,11,14)
InChIKeyMWITYFYSNMJVNQ-UHFFFAOYSA-N
XLogP1.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86768420

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)azepane-1-carboxamide?
The IUPAC name of 3-(1,3-thiazol-2-yl)azepane-1-carboxamide (CID 67258050) is 3-(1,3-thiazol-2-yl)azepane-1-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)azepane-1-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)azepane-1-carboxamide is NC(=O)N1CCCCC(c2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)azepane-1-carboxamide?
The InChIKey is MWITYFYSNMJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-10(14)13-5-2-1-3-8(7-13)9-12-4-6-15-9/h4,6,8H,1-3,5,7H2,(H2,11,14).
What are the key properties of 3-(1,3-thiazol-2-yl)azepane-1-carboxamide?
3-(1,3-thiazol-2-yl)azepane-1-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 67258050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).