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

C18H25N3O2S — CID 111506338

IUPAC1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O2S/c1-13(22)9-18(2,3)12-20-17(23)19-10-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyRGCVECFUISSNJQ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.41
Rot. Bonds7

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

1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 111506338) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID111506338
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(O)CC(C)(C)CNC(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3O2S/c1-13(22)9-18(2,3)12-20-17(23)19-10-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyRGCVECFUISSNJQ-UHFFFAOYSA-N
XLogP3.41
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111455538
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 111480419
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 86960431
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
1-(2-benzylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473126
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 111479812
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (CID 111506338) is 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is CC(O)CC(C)(C)CNC(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is RGCVECFUISSNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13(22)9-18(2,3)12-20-17(23)19-10-15-11-24-16(21-15)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 347.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 111506338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).