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

C17H23N3O2S — CID 111455538

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(O)CC(C)CNC(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O2S/c1-12(8-13(2)21)9-18-17(22)19-10-15-11-23-16(20-15)14-6-4-3-5-7-14/h3-7,11-13,21H,8-10H2,1-2H3,(H2,18,19,22)
InChIKeyPMGFGLMLLBKVJE-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.02
Rot. Bonds7

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

1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 111455538) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID111455538
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(O)CC(C)CNC(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O2S/c1-12(8-13(2)21)9-18-17(22)19-10-15-11-23-16(20-15)14-6-4-3-5-7-14/h3-7,11-13,21H,8-10H2,1-2H3,(H2,18,19,22)
InChIKeyPMGFGLMLLBKVJE-UHFFFAOYSA-N
XLogP3.02
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111506338
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
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 86960431
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-methyl-1-(2-phenylpropyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111343386
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
1-(4-hydroxy-2-methylpentyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508843
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (CID 111455538) is 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is CC(O)CC(C)CNC(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is PMGFGLMLLBKVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(8-13(2)21)9-18-17(22)19-10-15-11-23-16(20-15)14-6-4-3-5-7-14/h3-7,11-13,21H,8-10H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.02, 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-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 111455538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).