1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C17H23N3O2S — CID 124854604

IUPAC1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESC[C@@](CO)(CNC(=O)NCCc1cscn1)Cc1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-17(12-21,9-14-5-3-2-4-6-14)11-19-16(22)18-8-7-15-10-23-13-20-15/h2-6,10,13,21H,7-9,11-12H2,1H3,(H2,18,19,22)/t17-/m0/s1
InChIKeyXOWHVQFPBHHQJW-KRWDZBQOSA-N
MW333.46 g/mol
LogP2.23
Rot. Bonds8

About 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 124854604) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID124854604
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESC[C@@](CO)(CNC(=O)NCCc1cscn1)Cc1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-17(12-21,9-14-5-3-2-4-6-14)11-19-16(22)18-8-7-15-10-23-13-20-15/h2-6,10,13,21H,7-9,11-12H2,1H3,(H2,18,19,22)/t17-/m0/s1
InChIKeyXOWHVQFPBHHQJW-KRWDZBQOSA-N
XLogP2.23
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
2-methyl-3-phenyl-2-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 75429105
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 75432219
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
2-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325328
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
1-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731922
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 99835171

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 124854604) is 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is C[C@@](CO)(CNC(=O)NCCc1cscn1)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is XOWHVQFPBHHQJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(12-21,9-14-5-3-2-4-6-14)11-19-16(22)18-8-7-15-10-23-13-20-15/h2-6,10,13,21H,7-9,11-12H2,1H3,(H2,18,19,22)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 124854604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).