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

C18H25Cl2N5OS — CID 120647020

IUPAC2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H23N5OS.2ClH/c1-12(2)23-15-6-4-3-5-13(15)21-16(23)8-10-20-18(24)14-11-25-17(22-14)7-9-19;;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,24);2*1H
InChIKeyUKQQNCVYRLNWLC-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.39
Rot. Bonds7

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

2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120647020) has the molecular formula C18H25Cl2N5OS and a molecular weight of 430.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120647020
Molecular FormulaC18H25Cl2N5OS
Molecular Weight430.41 g/mol
Exact Mass429.12
IUPAC Name2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)n1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H23N5OS.2ClH/c1-12(2)23-15-6-4-3-5-13(15)21-16(23)8-10-20-18(24)14-11-25-17(22-14)7-9-19;;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,24);2*1H
InChIKeyUKQQNCVYRLNWLC-UHFFFAOYSA-N
XLogP3.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645501
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-methyl-6-oxo-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 122150093
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120624564
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120647020) is 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)n1c(CCNC(=O)c2csc(CCN)n2)nc2ccccc21.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UKQQNCVYRLNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS.2ClH/c1-12(2)23-15-6-4-3-5-13(15)21-16(23)8-10-20-18(24)14-11-25-17(22-14)7-9-19;;/h3-6,11-12H,7-10,19H2,1-2H3,(H,20,24);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 430.41 g/mol, XLogP of 3.39, 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-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120647020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).