2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride

C17H20ClN3O2S — CID 119694671

IUPAC2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C17H19N3O2S.ClH/c1-3-14-12(11-6-4-5-7-15(11)22-14)9-20(2)17(21)13-10-23-16(8-18)19-13;/h4-7,10H,3,8-9,18H2,1-2H3;1H
InChIKeyVXGMMKJBYDPWKN-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.60
Rot. Bonds5

About 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119694671) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119694671
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C17H19N3O2S.ClH/c1-3-14-12(11-6-4-5-7-15(11)22-14)9-20(2)17(21)13-10-23-16(8-18)19-13;/h4-7,10H,3,8-9,18H2,1-2H3;1H
InChIKeyVXGMMKJBYDPWKN-UHFFFAOYSA-N
XLogP3.60
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119694671) is 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is CCc1oc2ccccc2c1CN(C)C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VXGMMKJBYDPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S.ClH/c1-3-14-12(11-6-4-5-7-15(11)22-14)9-20(2)17(21)13-10-23-16(8-18)19-13;/h4-7,10H,3,8-9,18H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119694671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).