1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

C13H21N3OS — CID 39072001

IUPAC1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(CCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N3OS/c1-10-9-18-12(15-10)7-8-14-13(17)16-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,16,17)
InChIKeyPJCUBSKWPPDSSB-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 39072001) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID39072001
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(CCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N3OS/c1-10-9-18-12(15-10)7-8-14-13(17)16-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,16,17)
InChIKeyPJCUBSKWPPDSSB-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
CID 55174649
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 39072001) is 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(CCNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PJCUBSKWPPDSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-9-18-12(15-10)7-8-14-13(17)16-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,16,17).
What are the key properties of 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 267.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 39072001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).