4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine

C13H14N4S — CID 82500092

IUPAC4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)nc(C)n3C)cs1
InChIInChI=1S/C13H14N4S/c1-8-15-10-6-9(4-5-12(10)17(8)3)11-7-18-13(14-2)16-11/h4-7H,1-3H3,(H,14,16)
InChIKeyLCGQZZHXGFJOEF-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.05
Rot. Bonds2

About 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine

4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82500092) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82500092
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)nc(C)n3C)cs1
InChIInChI=1S/C13H14N4S/c1-8-15-10-6-9(4-5-12(10)17(8)3)11-7-18-13(14-2)16-11/h4-7H,1-3H3,(H,14,16)
InChIKeyLCGQZZHXGFJOEF-UHFFFAOYSA-N
XLogP3.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine (CID 82500092) is 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc3c(c2)nc(C)n3C)cs1.
What is the InChIKey of 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LCGQZZHXGFJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-15-10-6-9(4-5-12(10)17(8)3)11-7-18-13(14-2)16-11/h4-7H,1-3H3,(H,14,16).
What are the key properties of 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82500092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).