2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C14H20Cl2N4OS2 — CID 119884791

IUPAC2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(CN)n1.Cl.Cl
InChIInChI=1S/C14H18N4OS2.2ClH/c1-18(14(19)10-8-20-12(6-15)17-10)7-13-16-9-4-2-3-5-11(9)21-13;;/h8H,2-7,15H2,1H3;2*1H
InChIKeyYWZRZVBRUMYIIC-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.05
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119884791) has the molecular formula C14H20Cl2N4OS2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119884791
Molecular FormulaC14H20Cl2N4OS2
Molecular Weight395.38 g/mol
Exact Mass394.05
IUPAC Name2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(CN)n1.Cl.Cl
InChIInChI=1S/C14H18N4OS2.2ClH/c1-18(14(19)10-8-20-12(6-15)17-10)7-13-16-9-4-2-3-5-11(9)21-13;;/h8H,2-7,15H2,1H3;2*1H
InChIKeyYWZRZVBRUMYIIC-UHFFFAOYSA-N
XLogP3.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119771916
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
2-(aminomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119700463
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377067
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119884799
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068
2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 120670304
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119884791) is 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is CN(Cc1nc2c(s1)CCCC2)C(=O)c1csc(CN)n1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is YWZRZVBRUMYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2.2ClH/c1-18(14(19)10-8-20-12(6-15)17-10)7-13-16-9-4-2-3-5-11(9)21-13;;/h8H,2-7,15H2,1H3;2*1H.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119884791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).