3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea

C13H21N3OS — CID 70517200

IUPAC3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(CC2CCCCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-16(2)13(17)14-12-9-11(15-18-12)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyXWNSVGSIZQCFQE-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.36
Rot. Bonds3

About 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea

3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea (PubChem CID 70517200) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
PubChem CID70517200
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(CC2CCCCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-16(2)13(17)14-12-9-11(15-18-12)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyXWNSVGSIZQCFQE-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfanyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18549868
4-[[cyclopentylmethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63632139
1-ethyl-1-methyl-3-(3-pentan-3-yl-1,2-thiazol-5-yl)urea
CID 70517426
4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 123429134
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 138608843
5-N-(2-cyclopentylethyl)-1,2-thiazole-3,5-diamine
CID 103364211
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
CID 83116093
CID 88605382
CID 88605382
5-(cyclohexylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206058
5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206071
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The IUPAC name of 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea (CID 70517200) is 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea is CN(C)C(=O)Nc1cc(CC2CCCCC2)ns1.
What is the InChIKey of 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The InChIKey is XWNSVGSIZQCFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-16(2)13(17)14-12-9-11(15-18-12)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea has a molecular weight of 267.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethyl)-1,2-thiazol-5-yl]-1,1-dimethylurea is sourced from PubChem (CID 70517200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).