2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide

C9H13F2N3O2S — CID 106176872

IUPAC2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC(F)(F)CO)cs1
InChIInChI=1S/C9H13F2N3O2S/c1-5(12)8-14-6(2-17-8)7(16)13-3-9(10,11)4-15/h2,5,15H,3-4,12H2,1H3,(H,13,16)
InChIKeyHNARQXQEADTRDO-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.52
Rot. Bonds5

About 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 106176872) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID106176872
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC Name2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC(F)(F)CO)cs1
InChIInChI=1S/C9H13F2N3O2S/c1-5(12)8-14-6(2-17-8)7(16)13-3-9(10,11)4-15/h2,5,15H,3-4,12H2,1H3,(H,13,16)
InChIKeyHNARQXQEADTRDO-UHFFFAOYSA-N
XLogP0.52
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
2-(2-hydroxyethoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 49792699
N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198787
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86814871
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazole-4-carboxamide
CID 93769873
2-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427
(2S)-2-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]-4-fluorobutanoic acid
CID 129559126
3-(((2-(2-(Acetylamino)ethyl-4-thiazolyl)carbonyl)amino)propyl)dimethylsulfonium chloride
CID 157421
2-[[2-(Trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]ethyl nitrate
CID 20060278
N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 23053866
N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide
CID 67765171
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 106176872) is 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NCC(F)(F)CO)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HNARQXQEADTRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-5(12)8-14-6(2-17-8)7(16)13-3-9(10,11)4-15/h2,5,15H,3-4,12H2,1H3,(H,13,16).
What are the key properties of 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106176872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).