1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea

C14H17N3O2S — CID 97341252

IUPAC1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
SMILESC[C@@H](CO)N(C)C(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10(9-18)17(2)14(19)16-12-8-15-13(20-12)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyGEKTVCNRRUPOGR-JTQLQIEISA-N
MW291.38 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea

1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 97341252) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
PubChem CID97341252
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
SMILESC[C@@H](CO)N(C)C(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10(9-18)17(2)14(19)16-12-8-15-13(20-12)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyGEKTVCNRRUPOGR-JTQLQIEISA-N
XLogP2.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea (CID 97341252) is 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea is C[C@@H](CO)N(C)C(=O)Nc1cnc(-c2ccccc2)s1.
What is the InChIKey of 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is GEKTVCNRRUPOGR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10(9-18)17(2)14(19)16-12-8-15-13(20-12)11-6-4-3-5-7-11/h3-8,10,18H,9H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea?
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 291.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 97341252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).