1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C14H17N3O2S — CID 75483806

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-16-10)7-15-14(19)17-12(8-18)11-5-3-2-4-6-11/h2-6,9,12,18H,7-8H2,1H3,(H2,15,17,19)/t12-/m1/s1
InChIKeyPAQBNSYYJWUBSQ-GFCCVEGCSA-N
MW291.38 g/mol
LogP1.98
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 75483806) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID75483806
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-16-10)7-15-14(19)17-12(8-18)11-5-3-2-4-6-11/h2-6,9,12,18H,7-8H2,1H3,(H2,15,17,19)/t12-/m1/s1
InChIKeyPAQBNSYYJWUBSQ-GFCCVEGCSA-N
XLogP1.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 53595211
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71917393
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71922586
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448741
1-Benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 84599133
1-[(1S)-1-(2,4-difluorophenyl)propyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 95981180
(2R)-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-(2-fluorophenyl)ethanol
CID 97222419
1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
CID 97351472
1-[(4-Methyl-1,3-thiazol-5-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 53597259
1-[1-(3,4-Difluorophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 60254981
1-[(4-Fluorophenyl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 60255115
1-[2-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71967380

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 75483806) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is PAQBNSYYJWUBSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-13(20-9-16-10)7-15-14(19)17-12(8-18)11-5-3-2-4-6-11/h2-6,9,12,18H,7-8H2,1H3,(H2,15,17,19)/t12-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 75483806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).