1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea

C15H25N3OS — CID 47329395

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea
SMILESCc1nc(C)c(C(C)NC(=O)NC2CCCC(C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-9-6-5-7-13(8-9)18-15(19)17-11(3)14-10(2)16-12(4)20-14/h9,11,13H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyNCDDVHJAMPYCQG-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea (PubChem CID 47329395) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea
PubChem CID47329395
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea
SMILESCc1nc(C)c(C(C)NC(=O)NC2CCCC(C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-9-6-5-7-13(8-9)18-15(19)17-11(3)14-10(2)16-12(4)20-14/h9,11,13H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyNCDDVHJAMPYCQG-UHFFFAOYSA-N
XLogP3.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea (CID 47329395) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea is Cc1nc(C)c(C(C)NC(=O)NC2CCCC(C)C2)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea?
The InChIKey is NCDDVHJAMPYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-9-6-5-7-13(8-9)18-15(19)17-11(3)14-10(2)16-12(4)20-14/h9,11,13H,5-8H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea has a molecular weight of 295.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea is sourced from PubChem (CID 47329395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).