2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid

C15H14N4O2S — CID 155083601

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Nc2nc3c(s2)CCC3)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N4O2S/c1-19-11-6-5-8(13(20)21)7-10(11)16-14(19)18-15-17-9-3-2-4-12(9)22-15/h5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18)
InChIKeyRCDXFJDUKADKIJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.96
Rot. Bonds3

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 155083601) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID155083601
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(Nc2nc3c(s2)CCC3)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N4O2S/c1-19-11-6-5-8(13(20)21)7-10(11)16-14(19)18-15-17-9-3-2-4-12(9)22-15/h5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18)
InChIKeyRCDXFJDUKADKIJ-UHFFFAOYSA-N
XLogP2.96
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid (CID 155083601) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(Nc2nc3c(s2)CCC3)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is RCDXFJDUKADKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-19-11-6-5-8(13(20)21)7-10(11)16-14(19)18-15-17-9-3-2-4-12(9)22-15/h5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 155083601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).