4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine

C12H12N4S — CID 82497594

IUPAC4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCCn1cnc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C12H12N4S/c1-2-16-7-14-9-5-8(3-4-11(9)16)10-6-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyJGCRILCEYCISOP-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.76
Rot. Bonds2

About 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine

4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82497594) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82497594
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCCn1cnc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C12H12N4S/c1-2-16-7-14-9-5-8(3-4-11(9)16)10-6-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyJGCRILCEYCISOP-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine (CID 82497594) is 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine is CCn1cnc2cc(-c3csc(N)n3)ccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is JGCRILCEYCISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-16-7-14-9-5-8(3-4-11(9)16)10-6-17-12(13)15-10/h3-7H,2H2,1H3,(H2,13,15).
What are the key properties of 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82497594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).