2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide

C10H17N3O2S — CID 115739469

IUPAC2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N3O2S/c1-3-15-7(2)5-12-10(14)8-6-16-9(4-11)13-8/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyYHABZPFEKGQNOO-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.76
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 115739469) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID115739469
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N3O2S/c1-3-15-7(2)5-12-10(14)8-6-16-9(4-11)13-8/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyYHABZPFEKGQNOO-UHFFFAOYSA-N
XLogP0.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 103814423
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
ethyl 2-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-phenylpropanoate;hydrochloride
CID 119755403
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119900142

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide (CID 115739469) is 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide is CCOC(C)CNC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YHABZPFEKGQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-15-7(2)5-12-10(14)8-6-16-9(4-11)13-8/h6-7H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115739469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).