2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C22H26Cl2N4OS — CID 120642124

IUPAC2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cs1
InChIInChI=1S/C22H24N4OS.2ClH/c23-11-9-21-25-19(15-28-21)22(27)24-13-16-5-7-17(8-6-16)14-26-12-10-18-3-1-2-4-20(18)26;;/h1-8,15H,9-14,23H2,(H,24,27);2*1H
InChIKeyRCULMWGRCGNJIR-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.98
Rot. Bonds7

About 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120642124) has the molecular formula C22H26Cl2N4OS and a molecular weight of 465.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120642124
Molecular FormulaC22H26Cl2N4OS
Molecular Weight465.45 g/mol
Exact Mass464.12
IUPAC Name2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cs1
InChIInChI=1S/C22H24N4OS.2ClH/c23-11-9-21-25-19(15-28-21)22(27)24-13-16-5-7-17(8-6-16)14-26-12-10-18-3-1-2-4-20(18)26;;/h1-8,15H,9-14,23H2,(H,24,27);2*1H
InChIKeyRCULMWGRCGNJIR-UHFFFAOYSA-N
XLogP3.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120642124) is 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is RCULMWGRCGNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS.2ClH/c23-11-9-21-25-19(15-28-21)22(27)24-13-16-5-7-17(8-6-16)14-26-12-10-18-3-1-2-4-20(18)26;;/h1-8,15H,9-14,23H2,(H,24,27);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 465.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120642124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).