2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol

C12H13FN2OS — CID 64991044

IUPAC2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(CO)(Nc1ccc(F)cc1)c1nccs1
InChIInChI=1S/C12H13FN2OS/c1-12(8-16,11-14-6-7-17-11)15-10-4-2-9(13)3-5-10/h2-7,15-16H,8H2,1H3
InChIKeyGKJCPMRDQCDTHJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol

2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 64991044) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID64991044
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(CO)(Nc1ccc(F)cc1)c1nccs1
InChIInChI=1S/C12H13FN2OS/c1-12(8-16,11-14-6-7-17-11)15-10-4-2-9(13)3-5-10/h2-7,15-16H,8H2,1H3
InChIKeyGKJCPMRDQCDTHJ-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol (CID 64991044) is 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol is CC(CO)(Nc1ccc(F)cc1)c1nccs1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is GKJCPMRDQCDTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-12(8-16,11-14-6-7-17-11)15-10-4-2-9(13)3-5-10/h2-7,15-16H,8H2,1H3.
What are the key properties of 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol?
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 64991044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).