1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea

C17H26N4O2S — CID 41211659

IUPAC1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc(CC(=O)N2CCCCCC2)cs1)NC1CCCC1
InChIInChI=1S/C17H26N4O2S/c22-15(21-9-5-1-2-6-10-21)11-14-12-24-17(19-14)20-16(23)18-13-7-3-4-8-13/h12-13H,1-11H2,(H2,18,19,20,23)
InChIKeyNEJNPMMMNULOQI-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea

1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea (PubChem CID 41211659) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
PubChem CID41211659
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
SMILESO=C(Nc1nc(CC(=O)N2CCCCCC2)cs1)NC1CCCC1
InChIInChI=1S/C17H26N4O2S/c22-15(21-9-5-1-2-6-10-21)11-14-12-24-17(19-14)20-16(23)18-13-7-3-4-8-13/h12-13H,1-11H2,(H2,18,19,20,23)
InChIKeyNEJNPMMMNULOQI-UHFFFAOYSA-N
XLogP3.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
ethyl 4-[2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 41211680
1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567749
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 27546008
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea?
The IUPAC name of 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea (CID 41211659) is 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea is O=C(Nc1nc(CC(=O)N2CCCCCC2)cs1)NC1CCCC1.
What is the InChIKey of 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea?
The InChIKey is NEJNPMMMNULOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-15(21-9-5-1-2-6-10-21)11-14-12-24-17(19-14)20-16(23)18-13-7-3-4-8-13/h12-13H,1-11H2,(H2,18,19,20,23).
What are the key properties of 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea?
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea has a molecular weight of 350.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 41211659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).