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

C16H19F2N3O3S — CID 120638211

IUPAC2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2csc(CCN)n2)c1OC(F)F
InChIInChI=1S/C16H19F2N3O3S/c1-2-23-12-5-3-4-10(14(12)24-16(17)18)8-20-15(22)11-9-25-13(21-11)6-7-19/h3-5,9,16H,2,6-8,19H2,1H3,(H,20,22)
InChIKeyJKLACDCCTCJGCE-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.57
Rot. Bonds9

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

2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120638211) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120638211
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2csc(CCN)n2)c1OC(F)F
InChIInChI=1S/C16H19F2N3O3S/c1-2-23-12-5-3-4-10(14(12)24-16(17)18)8-20-15(22)11-9-25-13(21-11)6-7-19/h3-5,9,16H,2,6-8,19H2,1H3,(H,20,22)
InChIKeyJKLACDCCTCJGCE-UHFFFAOYSA-N
XLogP2.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621442
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618711
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119816488

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide (CID 120638211) is 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide is CCOc1cccc(CNC(=O)c2csc(CCN)n2)c1OC(F)F.
What is the InChIKey of 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JKLACDCCTCJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-2-23-12-5-3-4-10(14(12)24-16(17)18)8-20-15(22)11-9-25-13(21-11)6-7-19/h3-5,9,16H,2,6-8,19H2,1H3,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.57, 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-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).