1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea

C20H25ClN4O2S — CID 23442678

IUPAC1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
SMILESO=C(NCCCNc1ncc(C(=O)c2ccccc2Cl)s1)NC1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-16-10-5-4-9-15(16)18(26)17-13-24-20(28-17)23-12-6-11-22-19(27)25-14-7-2-1-3-8-14/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,23,24)(H2,22,25,27)
InChIKeyWNUMIGMKQDFWGH-UHFFFAOYSA-N
MW420.97 g/mol
LogP4.46
Rot. Bonds8

About 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea

1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea (PubChem CID 23442678) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
PubChem CID23442678
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
SMILESO=C(NCCCNc1ncc(C(=O)c2ccccc2Cl)s1)NC1CCCCC1
InChIInChI=1S/C20H25ClN4O2S/c21-16-10-5-4-9-15(16)18(26)17-13-24-20(28-17)23-12-6-11-22-19(27)25-14-7-2-1-3-8-14/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,23,24)(H2,22,25,27)
InChIKeyWNUMIGMKQDFWGH-UHFFFAOYSA-N
XLogP4.46
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide
CID 91127252
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
1-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(4-fluorophenyl)urea
CID 23442749
2-chloro-N-cyclopentylbenzamide
CID 669043
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
1-(3-chloro-1-benzothiophen-2-yl)-3-[2-(cyclohexylcarbamoylamino)ethyl]urea
CID 71905991
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea (CID 23442678) is 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea is O=C(NCCCNc1ncc(C(=O)c2ccccc2Cl)s1)NC1CCCCC1.
What is the InChIKey of 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea?
The InChIKey is WNUMIGMKQDFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c21-16-10-5-4-9-15(16)18(26)17-13-24-20(28-17)23-12-6-11-22-19(27)25-14-7-2-1-3-8-14/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,23,24)(H2,22,25,27).
What are the key properties of 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea?
1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea has a molecular weight of 420.97 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea is sourced from PubChem (CID 23442678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).