1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea

C12H19N3OS — CID 115616432

IUPAC1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(11-13-7-8-17-11)14-12(16)15-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyKJIZKJIXJDCLSY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.84
Rot. Bonds3

About 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea

1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 115616432) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID115616432
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-9(11-13-7-8-17-11)14-12(16)15-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyKJIZKJIXJDCLSY-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 154748763
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781475
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea (CID 115616432) is 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea is CC(NC(=O)NC1CCCCC1)c1nccs1.
What is the InChIKey of 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is KJIZKJIXJDCLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(11-13-7-8-17-11)14-12(16)15-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 115616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).