1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea

C12H11F2N3O2S — CID 94024696

IUPAC1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1nccs1
InChIInChI=1S/C12H11F2N3O2S/c13-7-1-2-8(9(14)5-7)10(18)6-16-11(19)17-12-15-3-4-20-12/h1-5,10,18H,6H2,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyJYYORKGDCTZBNU-SNVBAGLBSA-N
MW299.30 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea

1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 94024696) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID94024696
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1nccs1
InChIInChI=1S/C12H11F2N3O2S/c13-7-1-2-8(9(14)5-7)10(18)6-16-11(19)17-12-15-3-4-20-12/h1-5,10,18H,6H2,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyJYYORKGDCTZBNU-SNVBAGLBSA-N
XLogP2.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024697
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554669
(2R)-2-amino-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175993315
1-(2,4-difluorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
CID 111916297

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea (CID 94024696) is 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea is O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1nccs1.
What is the InChIKey of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is JYYORKGDCTZBNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c13-7-1-2-8(9(14)5-7)10(18)6-16-11(19)17-12-15-3-4-20-12/h1-5,10,18H,6H2,(H2,15,16,17,19)/t10-/m1/s1.
What are the key properties of 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea?
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 299.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 94024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).