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

C14H17N3O2S — CID 66372645

IUPAC2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H17N3O2S/c1-19-12-5-3-2-4-10(12)8-16-14(18)11-9-20-13(17-11)6-7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyYYJJXCUIEIJNPX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.58
Rot. Bonds6

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

2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66372645) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66372645
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H17N3O2S/c1-19-12-5-3-2-4-10(12)8-16-14(18)11-9-20-13(17-11)6-7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyYYJJXCUIEIJNPX-UHFFFAOYSA-N
XLogP1.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
tert-butyl N-[[4-[(2-methoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 67304205
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3743479
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11562323
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 66372645) is 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccccc1CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YYJJXCUIEIJNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-12-5-3-2-4-10(12)8-16-14(18)11-9-20-13(17-11)6-7-15/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66372645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).