2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C17H23Cl2N5OS — CID 120645501

IUPAC2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCn1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H21N5OS.2ClH/c1-2-22-14-6-4-3-5-12(14)20-15(22)8-10-19-17(23)13-11-24-16(21-13)7-9-18;;/h3-6,11H,2,7-10,18H2,1H3,(H,19,23);2*1H
InChIKeyHKQZXRJIGYIAFY-UHFFFAOYSA-N
MW416.38 g/mol
LogP2.83
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120645501) has the molecular formula C17H23Cl2N5OS and a molecular weight of 416.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120645501
Molecular FormulaC17H23Cl2N5OS
Molecular Weight416.38 g/mol
Exact Mass415.10
IUPAC Name2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCn1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C17H21N5OS.2ClH/c1-2-22-14-6-4-3-5-12(14)20-15(22)8-10-19-17(23)13-11-24-16(21-13)7-9-18;;/h3-6,11H,2,7-10,18H2,1H3,(H,19,23);2*1H
InChIKeyHKQZXRJIGYIAFY-UHFFFAOYSA-N
XLogP2.83
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647020
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CID 120616033
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
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(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
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7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119866339
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120645501) is 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCn1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is HKQZXRJIGYIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS.2ClH/c1-2-22-14-6-4-3-5-12(14)20-15(22)8-10-19-17(23)13-11-24-16(21-13)7-9-18;;/h3-6,11H,2,7-10,18H2,1H3,(H,19,23);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 416.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).