1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C15H20N4O2S — CID 75448741

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCN(C)c1nc(CNC(=O)N[C@H](CO)c2ccccc2)cs1
InChIInChI=1S/C15H20N4O2S/c1-19(2)15-17-12(10-22-15)8-16-14(21)18-13(9-20)11-6-4-3-5-7-11/h3-7,10,13,20H,8-9H2,1-2H3,(H2,16,18,21)/t13-/m1/s1
InChIKeyOSZBJEFLXQFGSE-CYBMUJFWSA-N
MW320.42 g/mol
LogP1.74
Rot. Bonds6

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 75448741) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID75448741
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCN(C)c1nc(CNC(=O)N[C@H](CO)c2ccccc2)cs1
InChIInChI=1S/C15H20N4O2S/c1-19(2)15-17-12(10-22-15)8-16-14(21)18-13(9-20)11-6-4-3-5-7-11/h3-7,10,13,20H,8-9H2,1-2H3,(H2,16,18,21)/t13-/m1/s1
InChIKeyOSZBJEFLXQFGSE-CYBMUJFWSA-N
XLogP1.74
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 75448741) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is CN(C)c1nc(CNC(=O)N[C@H](CO)c2ccccc2)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is OSZBJEFLXQFGSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19(2)15-17-12(10-22-15)8-16-14(21)18-13(9-20)11-6-4-3-5-7-11/h3-7,10,13,20H,8-9H2,1-2H3,(H2,16,18,21)/t13-/m1/s1.
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 320.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 75448741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).