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

C16H21N3O3S — CID 124888592

IUPAC1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOCC[C@@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1
InChIInChI=1S/C16H21N3O3S/c1-11-17-15(10-23-11)13-5-3-4-6-14(13)19-16(21)18-12(9-20)7-8-22-2/h3-6,10,12,20H,7-9H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyXNEBFNQPMKJVSX-LBPRGKRZSA-N
MW335.43 g/mol
LogP2.64
Rot. Bonds7

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

1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 124888592) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID124888592
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOCC[C@@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1
InChIInChI=1S/C16H21N3O3S/c1-11-17-15(10-23-11)13-5-3-4-6-14(13)19-16(21)18-12(9-20)7-8-22-2/h3-6,10,12,20H,7-9H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyXNEBFNQPMKJVSX-LBPRGKRZSA-N
XLogP2.64
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 119050634
6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
CID 90626314
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
dimethyl (E)-2-[2-(2-methyl-1,3-thiazol-4-yl)anilino]but-2-enedioate
CID 168569919

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (CID 124888592) is 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is COCC[C@@H](CO)NC(=O)Nc1ccccc1-c1csc(C)n1.
What is the InChIKey of 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is XNEBFNQPMKJVSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-17-15(10-23-11)13-5-3-4-6-14(13)19-16(21)18-12(9-20)7-8-22-2/h3-6,10,12,20H,7-9H2,1-2H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 124888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).