1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C13H15N3O2S — CID 22559540

IUPAC1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-8(2)11-7-14-13(19-11)16-12(18)15-9-3-5-10(17)6-4-9/h3-8,17H,1-2H3,(H2,14,15,16,18)
InChIKeyYZACKGVHBXSSRN-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.62
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 22559540) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID22559540
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(NC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-8(2)11-7-14-13(19-11)16-12(18)15-9-3-5-10(17)6-4-9/h3-8,17H,1-2H3,(H2,14,15,16,18)
InChIKeyYZACKGVHBXSSRN-UHFFFAOYSA-N
XLogP3.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10131664
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
CID 10111250
3-amino-2-methyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501562
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
1-[(3,4-difluorophenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559493
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
(2R)-2-(4-aminophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 87884959

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 22559540) is 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1cnc(NC(=O)Nc2ccc(O)cc2)s1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is YZACKGVHBXSSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(2)11-7-14-13(19-11)16-12(18)15-9-3-5-10(17)6-4-9/h3-8,17H,1-2H3,(H2,14,15,16,18).
What are the key properties of 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 277.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).