1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C17H23N3O2S — CID 84599133

IUPAC1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O
InChIInChI=1S/C17H23N3O2S/c1-13-15(23-12-19-13)9-18-16(21)20(11-17(2,3)22)10-14-7-5-4-6-8-14/h4-8,12,22H,9-11H2,1-3H3,(H,18,21)
InChIKeyFRSCUANJTIJPHS-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.93
Rot. Bonds6

About 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 84599133) 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-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID84599133
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O
InChIInChI=1S/C17H23N3O2S/c1-13-15(23-12-19-13)9-18-16(21)20(11-17(2,3)22)10-14-7-5-4-6-8-14/h4-8,12,22H,9-11H2,1-3H3,(H,18,21)
InChIKeyFRSCUANJTIJPHS-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

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Related Compounds

N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 76324807
(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
CID 56787681
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71922586
4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
CID 72008260
1-Benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 75444938
N-benzyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199702
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202211
Tert-butyl (4-(4-methylthiazol-5-yl)benzyl)carbamate
CID 138728270
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-(3-fluorobenzyl)-N-methylurea
CID 56893986
1-(Tert-butyl)-3-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)urea
CID 71795545
1-Cyclopropyl-3-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 72113917
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75483806

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 84599133) is 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O.
What is the InChIKey of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is FRSCUANJTIJPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-15(23-12-19-13)9-18-16(21)20(11-17(2,3)22)10-14-7-5-4-6-8-14/h4-8,12,22H,9-11H2,1-3H3,(H,18,21).
What are the key properties of 1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-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-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 84599133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).