4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine

C13H12N4S — CID 62794484

IUPAC4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3n2C2CC2)cs1
InChIInChI=1S/C13H12N4S/c14-13-16-10(7-18-13)12-15-9-3-1-2-4-11(9)17(12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,16)
InChIKeyAYOPCKQBBBYHMD-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.08
Rot. Bonds2

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

4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 62794484) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID62794484
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3n2C2CC2)cs1
InChIInChI=1S/C13H12N4S/c14-13-16-10(7-18-13)12-15-9-3-1-2-4-11(9)17(12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,16)
InChIKeyAYOPCKQBBBYHMD-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine (CID 62794484) is 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nc3ccccc3n2C2CC2)cs1.
What is the InChIKey of 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is AYOPCKQBBBYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-13-16-10(7-18-13)12-15-9-3-1-2-4-11(9)17(12)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,16).
What are the key properties of 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62794484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).