1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea

C15H19N3O2S — CID 111754482

IUPAC1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(C)(CCO)NC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,7-9-19)18-14(20)17-12-5-3-11(4-6-12)13-16-8-10-21-13/h3-6,8,10,19H,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyQTYFZMZVWQEVJZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea

1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 111754482) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID111754482
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCC(C)(CCO)NC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,7-9-19)18-14(20)17-12-5-3-11(4-6-12)13-16-8-10-21-13/h3-6,8,10,19H,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyQTYFZMZVWQEVJZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111754479
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
1-(4-tert-butylsulfanylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754830
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 111754482) is 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea is CC(C)(CCO)NC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is QTYFZMZVWQEVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,7-9-19)18-14(20)17-12-5-3-11(4-6-12)13-16-8-10-21-13/h3-6,8,10,19H,7,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111754482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).