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

C12H19N3O2S — CID 71867997

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCC(O)C2CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-8-6-14-11(18-8)4-5-13-12(17)15-7-10(16)9-2-3-9/h6,9-10,16H,2-5,7H2,1H3,(H2,13,15,17)
InChIKeyWPEQOWKRLOXCIJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.06
Rot. Bonds6

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

1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71867997) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71867997
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCC(O)C2CC2)s1
InChIInChI=1S/C12H19N3O2S/c1-8-6-14-11(18-8)4-5-13-12(17)15-7-10(16)9-2-3-9/h6,9-10,16H,2-5,7H2,1H3,(H2,13,15,17)
InChIKeyWPEQOWKRLOXCIJ-UHFFFAOYSA-N
XLogP1.06
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71867997) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NCC(O)C2CC2)s1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is WPEQOWKRLOXCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-6-14-11(18-8)4-5-13-12(17)15-7-10(16)9-2-3-9/h6,9-10,16H,2-5,7H2,1H3,(H2,13,15,17).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 269.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71867997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).