2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol

C6H8F2N2OS — CID 106172156

IUPAC2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1nccs1
InChIInChI=1S/C6H8F2N2OS/c7-6(8,4-11)3-10-5-9-1-2-12-5/h1-2,11H,3-4H2,(H,9,10)
InChIKeyNFEUWFUCGYBBRD-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.18
Rot. Bonds4

About 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol

2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol (PubChem CID 106172156) has the molecular formula C6H8F2N2OS and a molecular weight of 194.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
PubChem CID106172156
Molecular FormulaC6H8F2N2OS
Molecular Weight194.21 g/mol
Exact Mass194.03
IUPAC Name2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNc1nccs1
InChIInChI=1S/C6H8F2N2OS/c7-6(8,4-11)3-10-5-9-1-2-12-5/h1-2,11H,3-4H2,(H,9,10)
InChIKeyNFEUWFUCGYBBRD-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
2,2-difluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 104858416
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol (CID 106172156) is 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol is OCC(F)(F)CNc1nccs1.
What is the InChIKey of 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol?
The InChIKey is NFEUWFUCGYBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2OS/c7-6(8,4-11)3-10-5-9-1-2-12-5/h1-2,11H,3-4H2,(H,9,10).
What are the key properties of 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol?
2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol has a molecular weight of 194.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol is sourced from PubChem (CID 106172156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).