1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea

C19H25N3OS — CID 110645469

IUPAC1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1ncc(Cc2ccccc2)s1)NC1CCCCC1
InChIInChI=1S/C19H25N3OS/c23-19(22-16-9-5-2-6-10-16)20-12-11-18-21-14-17(24-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H2,20,22,23)
InChIKeyGVLOROCFNIGUGT-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea

1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea (PubChem CID 110645469) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
PubChem CID110645469
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCc1ncc(Cc2ccccc2)s1)NC1CCCCC1
InChIInChI=1S/C19H25N3OS/c23-19(22-16-9-5-2-6-10-16)20-12-11-18-21-14-17(24-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H2,20,22,23)
InChIKeyGVLOROCFNIGUGT-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 110645471
N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
CID 110645468
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
CID 122245095
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea (CID 110645469) is 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea is O=C(NCCc1ncc(Cc2ccccc2)s1)NC1CCCCC1.
What is the InChIKey of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea?
The InChIKey is GVLOROCFNIGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-19(22-16-9-5-2-6-10-16)20-12-11-18-21-14-17(24-18)13-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-13H2,(H2,20,22,23).
What are the key properties of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea?
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea has a molecular weight of 343.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 110645469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).