2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C18H26Cl2N4O2S — CID 119889603

IUPAC2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)c2csc(CN)n2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C18H24N4O2S.2ClH/c1-13-10-14(20-18(23)15-12-25-17(11-19)21-15)4-5-16(13)24-9-8-22-6-2-3-7-22;;/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,23);2*1H
InChIKeyMGYGJASBLWJULN-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119889603) has the molecular formula C18H26Cl2N4O2S and a molecular weight of 433.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119889603
Molecular FormulaC18H26Cl2N4O2S
Molecular Weight433.41 g/mol
Exact Mass432.12
IUPAC Name2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)c2csc(CN)n2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C18H24N4O2S.2ClH/c1-13-10-14(20-18(23)15-12-25-17(11-19)21-15)4-5-16(13)24-9-8-22-6-2-3-7-22;;/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,23);2*1H
InChIKeyMGYGJASBLWJULN-UHFFFAOYSA-N
XLogP3.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 119848862
2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634504
1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889581
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119748052

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119889603) is 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cc1cc(NC(=O)c2csc(CN)n2)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is MGYGJASBLWJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.2ClH/c1-13-10-14(20-18(23)15-12-25-17(11-19)21-15)4-5-16(13)24-9-8-22-6-2-3-7-22;;/h4-5,10,12H,2-3,6-9,11,19H2,1H3,(H,20,23);2*1H.
What are the key properties of 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 433.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119889603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).