1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea

C16H20FN3O2S — CID 164636293

IUPAC1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea
SMILESCC(C)c1scnc1NC(=O)NC[C@](C)(O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O2S/c1-10(2)13-14(19-9-23-13)20-15(21)18-8-16(3,22)11-5-4-6-12(17)7-11/h4-7,9-10,22H,8H2,1-3H3,(H2,18,20,21)/t16-/m0/s1
InChIKeyQJYHVNGSFUEWKG-INIZCTEOSA-N
MW337.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea

1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea (PubChem CID 164636293) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea
PubChem CID164636293
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea
SMILESCC(C)c1scnc1NC(=O)NC[C@](C)(O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O2S/c1-10(2)13-14(19-9-23-13)20-15(21)18-8-16(3,22)11-5-4-6-12(17)7-11/h4-7,9-10,22H,8H2,1-3H3,(H2,18,20,21)/t16-/m0/s1
InChIKeyQJYHVNGSFUEWKG-INIZCTEOSA-N
XLogP3.43
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea (CID 164636293) is 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea is CC(C)c1scnc1NC(=O)NC[C@](C)(O)c1cccc(F)c1.
What is the InChIKey of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea?
The InChIKey is QJYHVNGSFUEWKG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-10(2)13-14(19-9-23-13)20-15(21)18-8-16(3,22)11-5-4-6-12(17)7-11/h4-7,9-10,22H,8H2,1-3H3,(H2,18,20,21)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea?
1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea has a molecular weight of 337.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-fluorophenyl)-2-hydroxypropyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 164636293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).