2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine

C15H18N4OS — CID 66380393

IUPAC2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOCCn1c(-c2csc(CCN)n2)nc2ccccc21
InChIInChI=1S/C15H18N4OS/c1-20-9-8-19-13-5-3-2-4-11(13)18-15(19)12-10-21-14(17-12)6-7-16/h2-5,10H,6-9,16H2,1H3
InChIKeyMFYHQGSSPCSKKU-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine

2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66380393) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66380393
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCOCCn1c(-c2csc(CCN)n2)nc2ccccc21
InChIInChI=1S/C15H18N4OS/c1-20-9-8-19-13-5-3-2-4-11(13)18-15(19)12-10-21-14(17-12)6-7-16/h2-5,10H,6-9,16H2,1H3
InChIKeyMFYHQGSSPCSKKU-UHFFFAOYSA-N
XLogP2.31
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine (CID 66380393) is 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine is COCCn1c(-c2csc(CCN)n2)nc2ccccc21.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is MFYHQGSSPCSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-20-9-8-19-13-5-3-2-4-11(13)18-15(19)12-10-21-14(17-12)6-7-16/h2-5,10H,6-9,16H2,1H3.
What are the key properties of 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66380393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).