1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea

C14H21N3OS — CID 75534169

IUPAC1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea
SMILESCC1CCC(N(C(=O)Nc2nccs2)C2CC2)CC1
InChIInChI=1S/C14H21N3OS/c1-10-2-4-11(5-3-10)17(12-6-7-12)14(18)16-13-15-8-9-19-13/h8-12H,2-7H2,1H3,(H,15,16,18)
InChIKeyKQIMLGUHKLFTEN-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.72
Rot. Bonds3

About 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea

1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 75534169) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID75534169
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea
SMILESCC1CCC(N(C(=O)Nc2nccs2)C2CC2)CC1
InChIInChI=1S/C14H21N3OS/c1-10-2-4-11(5-3-10)17(12-6-7-12)14(18)16-13-15-8-9-19-13/h8-12H,2-7H2,1H3,(H,15,16,18)
InChIKeyKQIMLGUHKLFTEN-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea (CID 75534169) is 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea is CC1CCC(N(C(=O)Nc2nccs2)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is KQIMLGUHKLFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-2-4-11(5-3-10)17(12-6-7-12)14(18)16-13-15-8-9-19-13/h8-12H,2-7H2,1H3,(H,15,16,18).
What are the key properties of 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea?
1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 279.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methylcyclohexyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 75534169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).