1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine

C15H18N4S — CID 64545302

IUPAC1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H18N4S/c1-3-16-10(2)13-9-20-15(19-13)8-14-17-11-6-4-5-7-12(11)18-14/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFTQXHQGPPNQNTG-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64545302) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64545302
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H18N4S/c1-3-16-10(2)13-9-20-15(19-13)8-14-17-11-6-4-5-7-12(11)18-14/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFTQXHQGPPNQNTG-UHFFFAOYSA-N
XLogP3.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 63638262
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107354364
methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 107039676
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
[2-(1H-benzimidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 63639806
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64545302) is 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is FTQXHQGPPNQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-16-10(2)13-9-20-15(19-13)8-14-17-11-6-4-5-7-12(11)18-14/h4-7,9-10,16H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 286.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64545302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).