N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine

C13H14N4S — CID 116885858

IUPACN,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
SMILESCNc1sc(-c2ccc3c(c2)ncn3C)nc1C
InChIInChI=1S/C13H14N4S/c1-8-12(14-2)18-13(16-8)9-4-5-11-10(6-9)15-7-17(11)3/h4-7,14H,1-3H3
InChIKeyVAFWUAUFYMKFNN-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.05
Rot. Bonds2

About N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine

N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine (PubChem CID 116885858) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
PubChem CID116885858
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
SMILESCNc1sc(-c2ccc3c(c2)ncn3C)nc1C
InChIInChI=1S/C13H14N4S/c1-8-12(14-2)18-13(16-8)9-4-5-11-10(6-9)15-7-17(11)3/h4-7,14H,1-3H3
InChIKeyVAFWUAUFYMKFNN-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 N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine?
The IUPAC name of N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine (CID 116885858) is N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine?
The canonical SMILES for N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine is CNc1sc(-c2ccc3c(c2)ncn3C)nc1C.
What is the InChIKey of N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine?
The InChIKey is VAFWUAUFYMKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-12(14-2)18-13(16-8)9-4-5-11-10(6-9)15-7-17(11)3/h4-7,14H,1-3H3.
What are the key properties of N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine?
N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-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 N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 116885858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).