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

C11H12F2N4OS — CID 106174702

IUPAC3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1nsc(NCC(F)(F)CO)c1-c1ccncc1
InChIInChI=1S/C11H12F2N4OS/c12-11(13,6-18)5-16-10-8(9(14)17-19-10)7-1-3-15-4-2-7/h1-4,16,18H,5-6H2,(H2,14,17)
InChIKeyVUZHVQYMONTAGI-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.83
Rot. Bonds5

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

3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174702) has the molecular formula C11H12F2N4OS and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174702
Molecular FormulaC11H12F2N4OS
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1nsc(NCC(F)(F)CO)c1-c1ccncc1
InChIInChI=1S/C11H12F2N4OS/c12-11(13,6-18)5-16-10-8(9(14)17-19-10)7-1-3-15-4-2-7/h1-4,16,18H,5-6H2,(H2,14,17)
InChIKeyVUZHVQYMONTAGI-UHFFFAOYSA-N
XLogP1.83
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 106174702) is 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is Nc1nsc(NCC(F)(F)CO)c1-c1ccncc1.
What is the InChIKey of 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is VUZHVQYMONTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4OS/c12-11(13,6-18)5-16-10-8(9(14)17-19-10)7-1-3-15-4-2-7/h1-4,16,18H,5-6H2,(H2,14,17).
What are the key properties of 3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 286.31 g/mol, XLogP of 1.83, 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-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).