3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol

C11H19F2N3OS — CID 103731635

IUPAC3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol
SMILESCCN(CC)c1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C11H19F2N3OS/c1-3-16(4-2)11-15-6-8(18-11)5-14-7-9(17)10(12)13/h6,9-10,14,17H,3-5,7H2,1-2H3
InChIKeyXBUGJJSXFMBUHW-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.70
Rot. Bonds8

About 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731635) has the molecular formula C11H19F2N3OS and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731635
Molecular FormulaC11H19F2N3OS
Molecular Weight279.36 g/mol
Exact Mass279.12
IUPAC Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol
SMILESCCN(CC)c1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C11H19F2N3OS/c1-3-16(4-2)11-15-6-8(18-11)5-14-7-9(17)10(12)13/h6,9-10,14,17H,3-5,7H2,1-2H3
InChIKeyXBUGJJSXFMBUHW-UHFFFAOYSA-N
XLogP1.70
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol (CID 103731635) is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol is CCN(CC)c1ncc(CNCC(O)C(F)F)s1.
What is the InChIKey of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is XBUGJJSXFMBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3OS/c1-3-16(4-2)11-15-6-8(18-11)5-14-7-9(17)10(12)13/h6,9-10,14,17H,3-5,7H2,1-2H3.
What are the key properties of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol?
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 279.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).