2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H20ClF2N3O3S — CID 120621442

IUPAC2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1cc(CNC(=O)c2csc(CCN)n2)ccc1OC(F)F.Cl
InChIInChI=1S/C16H19F2N3O3S.ClH/c1-2-23-13-7-10(3-4-12(13)24-16(17)18)8-20-15(22)11-9-25-14(21-11)5-6-19;/h3-4,7,9,16H,2,5-6,8,19H2,1H3,(H,20,22);1H
InChIKeyBFFMCKGUJCWKKE-UHFFFAOYSA-N
MW407.87 g/mol
LogP3.00
Rot. Bonds9

About 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621442) has the molecular formula C16H20ClF2N3O3S and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621442
Molecular FormulaC16H20ClF2N3O3S
Molecular Weight407.87 g/mol
Exact Mass407.09
IUPAC Name2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1cc(CNC(=O)c2csc(CCN)n2)ccc1OC(F)F.Cl
InChIInChI=1S/C16H19F2N3O3S.ClH/c1-2-23-13-7-10(3-4-12(13)24-16(17)18)8-20-15(22)11-9-25-14(21-11)5-6-19;/h3-4,7,9,16H,2,5-6,8,19H2,1H3,(H,20,22);1H
InChIKeyBFFMCKGUJCWKKE-UHFFFAOYSA-N
XLogP3.00
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride 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

2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
2-(aminomethyl)-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119786408
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 120633179
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621442) is 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is CCOc1cc(CNC(=O)c2csc(CCN)n2)ccc1OC(F)F.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is BFFMCKGUJCWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S.ClH/c1-2-23-13-7-10(3-4-12(13)24-16(17)18)8-20-15(22)11-9-25-14(21-11)5-6-19;/h3-4,7,9,16H,2,5-6,8,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 407.87 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).