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

C9H13F2N3O2S — CID 106177003

IUPAC2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(F)(F)CO)cs1
InChIInChI=1S/C9H13F2N3O2S/c10-9(11,5-15)4-13-8(16)6-3-17-7(14-6)1-2-12/h3,15H,1-2,4-5,12H2,(H,13,16)
InChIKeyFUMSFOOGQTXMAV-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.00
Rot. Bonds6

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

2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 106177003) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID106177003
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC Name2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC(F)(F)CO)cs1
InChIInChI=1S/C9H13F2N3O2S/c10-9(11,5-15)4-13-8(16)6-3-17-7(14-6)1-2-12/h3,15H,1-2,4-5,12H2,(H,13,16)
InChIKeyFUMSFOOGQTXMAV-UHFFFAOYSA-N
XLogP0.00
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
N-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121261436
N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 121264029
2-fluoro-N-propyl-1,3-thiazole-4-carboxamide
CID 129027201
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-2-carboxamide
CID 132056894

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 106177003) is 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC(F)(F)CO)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FUMSFOOGQTXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c10-9(11,5-15)4-13-8(16)6-3-17-7(14-6)1-2-12/h3,15H,1-2,4-5,12H2,(H,13,16).
What are the key properties of 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106177003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).