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

C6H9F2N3OS — CID 106167632

IUPAC3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cnc(NCC(F)(F)CO)s1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-11-5-10-1-4(9)13-5/h1,12H,2-3,9H2,(H,10,11)
InChIKeyBSPGDNVUGAUAFE-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.76
Rot. Bonds4

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

3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106167632) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106167632
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cnc(NCC(F)(F)CO)s1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-11-5-10-1-4(9)13-5/h1,12H,2-3,9H2,(H,10,11)
InChIKeyBSPGDNVUGAUAFE-UHFFFAOYSA-N
XLogP0.76
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (CID 106167632) is 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is Nc1cnc(NCC(F)(F)CO)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is BSPGDNVUGAUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-11-5-10-1-4(9)13-5/h1,12H,2-3,9H2,(H,10,11).
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 209.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106167632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).