2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile

C13H11N5S — CID 116867225

IUPAC2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2ccc3c(c2)ncn3C)c(C#N)s1
InChIInChI=1S/C13H11N5S/c1-15-13-17-12(11(6-14)19-13)8-3-4-10-9(5-8)16-7-18(10)2/h3-5,7H,1-2H3,(H,15,17)
InChIKeyHEEYYILYFXSPHW-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.61
Rot. Bonds2

About 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile

2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 116867225) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
PubChem CID116867225
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2ccc3c(c2)ncn3C)c(C#N)s1
InChIInChI=1S/C13H11N5S/c1-15-13-17-12(11(6-14)19-13)8-3-4-10-9(5-8)16-7-18(10)2/h3-5,7H,1-2H3,(H,15,17)
InChIKeyHEEYYILYFXSPHW-UHFFFAOYSA-N
XLogP2.61
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile (CID 116867225) is 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile is CNc1nc(-c2ccc3c(c2)ncn3C)c(C#N)s1.
What is the InChIKey of 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is HEEYYILYFXSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-15-13-17-12(11(6-14)19-13)8-3-4-10-9(5-8)16-7-18(10)2/h3-5,7H,1-2H3,(H,15,17).
What are the key properties of 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile?
2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 269.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).