1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C16H21N3O2S — CID 95192938

IUPAC1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1ccc(OC[C@H](C)NC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H21N3O2S/c1-11-4-6-14(7-5-11)21-9-12(2)19-16(20)17-8-15-18-13(3)10-22-15/h4-7,10,12H,8-9H2,1-3H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyFMICRRRQQDJCBK-LBPRGKRZSA-N
MW319.43 g/mol
LogP3.03
Rot. Bonds6

About 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 95192938) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID95192938
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1ccc(OC[C@H](C)NC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C16H21N3O2S/c1-11-4-6-14(7-5-11)21-9-12(2)19-16(20)17-8-15-18-13(3)10-22-15/h4-7,10,12H,8-9H2,1-3H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyFMICRRRQQDJCBK-LBPRGKRZSA-N
XLogP3.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 54962722
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94172136
2-[(4-methylphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-3-carboxamide
CID 131901713
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 95761083
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 95192938) is 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1ccc(OC[C@H](C)NC(=O)NCc2nc(C)cs2)cc1.
What is the InChIKey of 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is FMICRRRQQDJCBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-4-6-14(7-5-11)21-9-12(2)19-16(20)17-8-15-18-13(3)10-22-15/h4-7,10,12H,8-9H2,1-3H3,(H2,17,19,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 95192938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).