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

C18H22ClN3O2S — CID 119782858

IUPAC2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1c(C(NC(=O)c2csc(CN)n2)C(C)C)oc2ccccc12.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-10(2)16(21-18(22)13-9-24-15(8-19)20-13)17-11(3)12-6-4-5-7-14(12)23-17;/h4-7,9-10,16H,8,19H2,1-3H3,(H,21,22);1H
InChIKeyGOWDLHPSIWUSLZ-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.21
Rot. Bonds5

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

2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119782858) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119782858
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1c(C(NC(=O)c2csc(CN)n2)C(C)C)oc2ccccc12.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-10(2)16(21-18(22)13-9-24-15(8-19)20-13)17-11(3)12-6-4-5-7-14(12)23-17;/h4-7,9-10,16H,8,19H2,1-3H3,(H,21,22);1H
InChIKeyGOWDLHPSIWUSLZ-UHFFFAOYSA-N
XLogP4.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
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CID 81375210
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628
7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
CID 119782837
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816092
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
CID 120646793
2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119782858) is 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1c(C(NC(=O)c2csc(CN)n2)C(C)C)oc2ccccc12.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GOWDLHPSIWUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-10(2)16(21-18(22)13-9-24-15(8-19)20-13)17-11(3)12-6-4-5-7-14(12)23-17;/h4-7,9-10,16H,8,19H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119782858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).