4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

C14H16N4S — CID 81456166

IUPAC4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2cccc(C)c2n1C
InChIInChI=1S/C14H16N4S/c1-8-6-5-7-10-12(8)18(4)13(16-10)11-9(2)17-19-14(11)15-3/h5-7,15H,1-4H3
InChIKeyMZQMIFBPQDHMSB-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.36
Rot. Bonds2

About 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 81456166) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID81456166
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2cccc(C)c2n1C
InChIInChI=1S/C14H16N4S/c1-8-6-5-7-10-12(8)18(4)13(16-10)11-9(2)17-19-14(11)15-3/h5-7,15H,1-4H3
InChIKeyMZQMIFBPQDHMSB-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (CID 81456166) is 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc2cccc(C)c2n1C.
What is the InChIKey of 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is MZQMIFBPQDHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8-6-5-7-10-12(8)18(4)13(16-10)11-9(2)17-19-14(11)15-3/h5-7,15H,1-4H3.
What are the key properties of 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 272.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 81456166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).