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

C15H19N3O3S — CID 120620520

IUPAC2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(CCN)n2)c1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-5-3-4-10(14(12)21-2)8-17-15(19)11-9-22-13(18-11)6-7-16/h3-5,9H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyPTJWZDLISTUFBH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.59
Rot. Bonds7

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

2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120620520) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120620520
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(CCN)n2)c1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-5-3-4-10(14(12)21-2)8-17-15(19)11-9-22-13(18-11)6-7-16/h3-5,9H,6-8,16H2,1-2H3,(H,17,19)
InChIKeyPTJWZDLISTUFBH-UHFFFAOYSA-N
XLogP1.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 120620520) is 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2csc(CCN)n2)c1OC.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PTJWZDLISTUFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-12-5-3-4-10(14(12)21-2)8-17-15(19)11-9-22-13(18-11)6-7-16/h3-5,9H,6-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120620520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).