2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

C14H20ClN3OS2 — CID 119751058

IUPAC2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)s1.Cl
InChIInChI=1S/C14H19N3OS2.ClH/c1-9(2)17(7-11-5-4-10(3)20-11)14(18)12-8-19-13(6-15)16-12;/h4-5,8-9H,6-7,15H2,1-3H3;1H
InChIKeyKLDSKCCDEFWVFF-UHFFFAOYSA-N
MW345.92 g/mol
LogP3.44
Rot. Bonds5

About 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119751058) has the molecular formula C14H20ClN3OS2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119751058
Molecular FormulaC14H20ClN3OS2
Molecular Weight345.92 g/mol
Exact Mass345.07
IUPAC Name2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)s1.Cl
InChIInChI=1S/C14H19N3OS2.ClH/c1-9(2)17(7-11-5-4-10(3)20-11)14(18)12-8-19-13(6-15)16-12;/h4-5,8-9H,6-7,15H2,1-3H3;1H
InChIKeyKLDSKCCDEFWVFF-UHFFFAOYSA-N
XLogP3.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226
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CID 66377464
2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688844
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119802458
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119807887
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119751058) is 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccc(CN(C(=O)c2csc(CN)n2)C(C)C)s1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is KLDSKCCDEFWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2.ClH/c1-9(2)17(7-11-5-4-10(3)20-11)14(18)12-8-19-13(6-15)16-12;/h4-5,8-9H,6-7,15H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119751058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).