3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea

C15H23N3OS — CID 95967844

IUPAC3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@@H](c1ncc(C)s1)C1CC1
InChIInChI=1S/C15H23N3OS/c1-5-18(9-10(2)3)15(19)17-13(12-6-7-12)14-16-8-11(4)20-14/h8,12-13H,2,5-7,9H2,1,3-4H3,(H,17,19)/t13-/m1/s1
InChIKeyAWJPBGZMASTOLF-CYBMUJFWSA-N
MW293.44 g/mol
LogP3.51
Rot. Bonds6

About 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea

3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea (PubChem CID 95967844) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
PubChem CID95967844
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@@H](c1ncc(C)s1)C1CC1
InChIInChI=1S/C15H23N3OS/c1-5-18(9-10(2)3)15(19)17-13(12-6-7-12)14-16-8-11(4)20-14/h8,12-13H,2,5-7,9H2,1,3-4H3,(H,17,19)/t13-/m1/s1
InChIKeyAWJPBGZMASTOLF-CYBMUJFWSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea (CID 95967844) is 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)N[C@@H](c1ncc(C)s1)C1CC1.
What is the InChIKey of 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is AWJPBGZMASTOLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-18(9-10(2)3)15(19)17-13(12-6-7-12)14-16-8-11(4)20-14/h8,12-13H,2,5-7,9H2,1,3-4H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea?
3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 293.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 95967844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).