1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea

C15H19N3O2S — CID 56795046

IUPAC1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(C)C(O)CNC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)13(19)9-17-15(20)18-12-5-3-4-11(8-12)14-16-6-7-21-14/h3-8,10,13,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyWMKFPDIPSUMLHI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea

1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 56795046) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID56795046
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(C)C(O)CNC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)13(19)9-17-15(20)18-12-5-3-4-11(8-12)14-16-6-7-21-14/h3-8,10,13,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyWMKFPDIPSUMLHI-UHFFFAOYSA-N
XLogP2.95
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 56795046) is 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is CC(C)C(O)CNC(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is WMKFPDIPSUMLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)13(19)9-17-15(20)18-12-5-3-4-11(8-12)14-16-6-7-21-14/h3-8,10,13,19H,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 305.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 56795046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).