1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea

C15H23N3OS2 — CID 71869807

IUPAC1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea
SMILESCSC1CCCCC1NC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C15H23N3OS2/c1-20-12-5-3-2-4-11(12)17-15(19)18-13(10-6-7-10)14-16-8-9-21-14/h8-13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyKXDYFQPLSNEJQB-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.57
Rot. Bonds5

About 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea (PubChem CID 71869807) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea
PubChem CID71869807
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea
SMILESCSC1CCCCC1NC(=O)NC(c1nccs1)C1CC1
InChIInChI=1S/C15H23N3OS2/c1-20-12-5-3-2-4-11(12)17-15(19)18-13(10-6-7-10)14-16-8-9-21-14/h8-13H,2-7H2,1H3,(H2,17,18,19)
InChIKeyKXDYFQPLSNEJQB-UHFFFAOYSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea?
The IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea (CID 71869807) is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea.
What is the SMILES notation for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea?
The canonical SMILES for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea is CSC1CCCCC1NC(=O)NC(c1nccs1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea?
The InChIKey is KXDYFQPLSNEJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-20-12-5-3-2-4-11(12)17-15(19)18-13(10-6-7-10)14-16-8-9-21-14/h8-13H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea?
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea has a molecular weight of 325.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(2-methylsulfanylcyclohexyl)urea is sourced from PubChem (CID 71869807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).