1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C17H23N3O2S — CID 75444934

IUPAC1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)s1
InChIInChI=1S/C17H23N3O2S/c1-13-18-9-15(23-13)10-19-16(21)20(12-17(2,3)22)11-14-7-5-4-6-8-14/h4-9,22H,10-12H2,1-3H3,(H,19,21)
InChIKeySTHIUQQDJYXECY-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.93
Rot. Bonds6

About 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 75444934) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID75444934
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)s1
InChIInChI=1S/C17H23N3O2S/c1-13-18-9-15(23-13)10-19-16(21)20(12-17(2,3)22)11-14-7-5-4-6-8-14/h4-9,22H,10-12H2,1-3H3,(H,19,21)
InChIKeySTHIUQQDJYXECY-UHFFFAOYSA-N
XLogP2.93
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-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-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115604557
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86825678
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111719256
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 75444934) is 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)s1.
What is the InChIKey of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is STHIUQQDJYXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-18-9-15(23-13)10-19-16(21)20(12-17(2,3)22)11-14-7-5-4-6-8-14/h4-9,22H,10-12H2,1-3H3,(H,19,21).
What are the key properties of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 75444934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).