1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea

C14H17N3O2S — CID 51944210

IUPAC1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC[C@@H](NC(=O)Nc1nccs1)c1ccccc1OC
InChIInChI=1S/C14H17N3O2S/c1-3-11(10-6-4-5-7-12(10)19-2)16-13(18)17-14-15-8-9-20-14/h4-9,11H,3H2,1-2H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyUJCKTTSBOQMLDD-LLVKDONJSA-N
MW291.38 g/mol
LogP3.42
Rot. Bonds5

About 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea

1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 51944210) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID51944210
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC[C@@H](NC(=O)Nc1nccs1)c1ccccc1OC
InChIInChI=1S/C14H17N3O2S/c1-3-11(10-6-4-5-7-12(10)19-2)16-13(18)17-14-15-8-9-20-14/h4-9,11H,3H2,1-2H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyUJCKTTSBOQMLDD-LLVKDONJSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 53499388
1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047902
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 921733
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 41394791
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea (CID 51944210) is 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea is CC[C@@H](NC(=O)Nc1nccs1)c1ccccc1OC.
What is the InChIKey of 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is UJCKTTSBOQMLDD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-11(10-6-4-5-7-12(10)19-2)16-13(18)17-14-15-8-9-20-14/h4-9,11H,3H2,1-2H3,(H2,15,16,17,18)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea?
1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 291.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 51944210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).