2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C12H16ClN3OS2 — CID 119727054

IUPAC2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cccs1)N(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H15N3OS2.ClH/c1-8(10-4-3-5-17-10)15(2)12(16)9-7-18-11(6-13)14-9;/h3-5,7-8H,6,13H2,1-2H3;1H
InChIKeySYOSSFDRZILNPZ-UHFFFAOYSA-N
MW317.87 g/mol
LogP2.92
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119727054) has the molecular formula C12H16ClN3OS2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119727054
Molecular FormulaC12H16ClN3OS2
Molecular Weight317.87 g/mol
Exact Mass317.04
IUPAC Name2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cccs1)N(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H15N3OS2.ClH/c1-8(10-4-3-5-17-10)15(2)12(16)9-7-18-11(6-13)14-9;/h3-5,7-8H,6,13H2,1-2H3;1H
InChIKeySYOSSFDRZILNPZ-UHFFFAOYSA-N
XLogP2.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388715
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119880788
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119795550
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119727054) is 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(c1cccs1)N(C)C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is SYOSSFDRZILNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2.ClH/c1-8(10-4-3-5-17-10)15(2)12(16)9-7-18-11(6-13)14-9;/h3-5,7-8H,6,13H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 317.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119727054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).