1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea

C17H23N3O2S — CID 95981814

IUPAC1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCC[C@@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1
InChIInChI=1S/C17H23N3O2S/c1-5-17(3,15-18-12(2)11-23-15)20-16(21)19-14-8-6-7-13(9-14)10-22-4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyNFWWVIBDIUVBNI-QGZVFWFLSA-N
MW333.46 g/mol
LogP4.04
Rot. Bonds6

About 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea

1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea (PubChem CID 95981814) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
PubChem CID95981814
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCC[C@@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1
InChIInChI=1S/C17H23N3O2S/c1-5-17(3,15-18-12(2)11-23-15)20-16(21)19-14-8-6-7-13(9-14)10-22-4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyNFWWVIBDIUVBNI-QGZVFWFLSA-N
XLogP4.04
TPSA63.25 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 ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea with MolForge

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Related Compounds

3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
CID 97025274
N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide
CID 71986458
1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
CID 126778365
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylsulfamoylmethyl]benzoic acid
CID 138001360
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
1-[3-(benzylsulfonylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962649
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea (CID 95981814) is 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea is CC[C@@](C)(NC(=O)Nc1cccc(COC)c1)c1nc(C)cs1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The InChIKey is NFWWVIBDIUVBNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-17(3,15-18-12(2)11-23-15)20-16(21)19-14-8-6-7-13(9-14)10-22-4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21)/t17-/m1/s1.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea has a molecular weight of 333.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea is sourced from PubChem (CID 95981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).