1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C16H21N3O2S — CID 94047902

IUPAC1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC[C@H](NC(=O)NCc1csc(C)n1)c1ccccc1OC
InChIInChI=1S/C16H21N3O2S/c1-4-14(13-7-5-6-8-15(13)21-3)19-16(20)17-9-12-10-22-11(2)18-12/h5-8,10,14H,4,9H2,1-3H3,(H2,17,19,20)/t14-/m0/s1
InChIKeyXOZOVGKMWPQWBO-AWEZNQCLSA-N
MW319.43 g/mol
LogP3.41
Rot. Bonds6

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

1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 94047902) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID94047902
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCC[C@H](NC(=O)NCc1csc(C)n1)c1ccccc1OC
InChIInChI=1S/C16H21N3O2S/c1-4-14(13-7-5-6-8-15(13)21-3)19-16(20)17-9-12-10-22-11(2)18-12/h5-8,10,14H,4,9H2,1-3H3,(H2,17,19,20)/t14-/m0/s1
InChIKeyXOZOVGKMWPQWBO-AWEZNQCLSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047872
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 94030307
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
N-[1-(2-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 43042445
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 94047902) is 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is CC[C@H](NC(=O)NCc1csc(C)n1)c1ccccc1OC.
What is the InChIKey of 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is XOZOVGKMWPQWBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-14(13-7-5-6-8-15(13)21-3)19-16(20)17-9-12-10-22-11(2)18-12/h5-8,10,14H,4,9H2,1-3H3,(H2,17,19,20)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 94047902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).