2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C19H28Cl2N4OS — CID 119884553

IUPAC2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4OS.2ClH/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16;;/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24);2*1H
InChIKeyPMMVVGGTTQHORW-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.84
Rot. Bonds7

About 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119884553) has the molecular formula C19H28Cl2N4OS and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119884553
Molecular FormulaC19H28Cl2N4OS
Molecular Weight431.43 g/mol
Exact Mass430.14
IUPAC Name2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4OS.2ClH/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16;;/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24);2*1H
InChIKeyPMMVVGGTTQHORW-UHFFFAOYSA-N
XLogP3.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 119821394
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119884553) is 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC(NC1(CNC(=O)c2csc(CN)n2)CCCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is PMMVVGGTTQHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.2ClH/c1-14(15-7-3-2-4-8-15)23-19(9-5-6-10-19)13-21-18(24)16-12-25-17(11-20)22-16;;/h2-4,7-8,12,14,23H,5-6,9-11,13,20H2,1H3,(H,21,24);2*1H.
What are the key properties of 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 431.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119884553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).