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

C6H9F2N3OS — CID 106174725

IUPAC3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)sn1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-10-5-1-4(9)11-13-5/h1,10,12H,2-3H2,(H2,9,11)
InChIKeyOXDFQYMSNHCIMC-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.76
Rot. Bonds4

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

3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174725) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174725
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1cc(NCC(F)(F)CO)sn1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-10-5-1-4(9)11-13-5/h1,10,12H,2-3H2,(H2,9,11)
InChIKeyOXDFQYMSNHCIMC-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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Related Compounds

5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361721
5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364768
5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649926
3-[(3-Amino-1,2-thiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 105649948
5-N-[2-(2,2-difluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 105923643
5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324
3-[(3-Amino-4-methyl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174712
5-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-3,5-diamine
CID 106296479
2-[(3-Amino-1,2-thiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495513

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 106174725) is 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is Nc1cc(NCC(F)(F)CO)sn1.
What is the InChIKey of 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is OXDFQYMSNHCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c7-6(8,3-12)2-10-5-1-4(9)11-13-5/h1,10,12H,2-3H2,(H2,9,11).
What are the key properties of 3-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-amino-1,2-thiazol-5-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-[(3-amino-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).