3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol

C7H11F2N3OS2 — CID 106174700

IUPAC3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCSc1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3OS2/c1-14-4-5(10)12-15-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyPKIUHRZRKQOVHF-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.49
Rot. Bonds5

About 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174700) has the molecular formula C7H11F2N3OS2 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174700
Molecular FormulaC7H11F2N3OS2
Molecular Weight255.31 g/mol
Exact Mass255.03
IUPAC Name3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCSc1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3OS2/c1-14-4-5(10)12-15-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12)
InChIKeyPKIUHRZRKQOVHF-UHFFFAOYSA-N
XLogP1.49
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-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-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 106174700) is 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is CSc1c(N)nsc1NCC(F)(F)CO.
What is the InChIKey of 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is PKIUHRZRKQOVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS2/c1-14-4-5(10)12-15-6(4)11-2-7(8,9)3-13/h11,13H,2-3H2,1H3,(H2,10,12).
What are the key properties of 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).