azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone

C13H19N3OS — CID 71702866

IUPACazepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(NC2CC2)n1)N1CCCCCC1
InChIInChI=1S/C13H19N3OS/c17-12(16-7-3-1-2-4-8-16)11-9-18-13(15-11)14-10-5-6-10/h9-10H,1-8H2,(H,14,15)
InChIKeyNZEJVQJOLVAIBI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds3

About azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone

azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 71702866) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
PubChem CID71702866
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Nameazepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(NC2CC2)n1)N1CCCCCC1
InChIInChI=1S/C13H19N3OS/c17-12(16-7-3-1-2-4-8-16)11-9-18-13(15-11)14-10-5-6-10/h9-10H,1-8H2,(H,14,15)
InChIKeyNZEJVQJOLVAIBI-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 155950204
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 97061951
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 153387397
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 42876740
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876723
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 97012470
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone (CID 71702866) is azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone is O=C(c1csc(NC2CC2)n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is NZEJVQJOLVAIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-12(16-7-3-1-2-4-8-16)11-9-18-13(15-11)14-10-5-6-10/h9-10H,1-8H2,(H,14,15).
What are the key properties of azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone?
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 265.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71702866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).