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

C13H15N3O2S — CID 94197374

IUPAC1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](O)c1ccc(CNC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(17)11-4-2-10(3-5-11)8-15-12(18)16-13-14-6-7-19-13/h2-7,9,17H,8H2,1H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyFLVKYBYODUIXNX-SECBINFHSA-N
MW277.35 g/mol
LogP2.52
Rot. Bonds4

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

1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 94197374) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID94197374
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](O)c1ccc(CNC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(17)11-4-2-10(3-5-11)8-15-12(18)16-13-14-6-7-19-13/h2-7,9,17H,8H2,1H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyFLVKYBYODUIXNX-SECBINFHSA-N
XLogP2.52
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
CID 51102905
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94025132
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024697

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 94197374) is 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea is C[C@@H](O)c1ccc(CNC(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is FLVKYBYODUIXNX-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)11-4-2-10(3-5-11)8-15-12(18)16-13-14-6-7-19-13/h2-7,9,17H,8H2,1H3,(H2,14,15,16,18)/t9-/m1/s1.
What are the key properties of 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 277.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 94197374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).