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

C13H14N4S — CID 81456471

IUPAC4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2cccc(C)c2n1C
InChIInChI=1S/C13H14N4S/c1-7-5-4-6-9-11(7)17(3)13(15-9)10-8(2)16-18-12(10)14/h4-6H,14H2,1-3H3
InChIKeyFVUJJXOQGFKLJK-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.90
Rot. Bonds1

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

4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (PubChem CID 81456471) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
PubChem CID81456471
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2cccc(C)c2n1C
InChIInChI=1S/C13H14N4S/c1-7-5-4-6-9-11(7)17(3)13(15-9)10-8(2)16-18-12(10)14/h4-6H,14H2,1-3H3
InChIKeyFVUJJXOQGFKLJK-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,7-dimethylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
CID 81456166
5-(1,7-dimethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 81455592
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663
4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79403111
3-(1,7-dimethylbenzimidazol-2-yl)-4-fluoroaniline
CID 81456066
2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81456673
[4-(1,7-dimethylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 81456378
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914
3-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81455442
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969

Frequently Asked Questions

What is the IUPAC name of 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (CID 81456471) is 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc2cccc(C)c2n1C.
What is the InChIKey of 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The InChIKey is FVUJJXOQGFKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-7-5-4-6-9-11(7)17(3)13(15-9)10-8(2)16-18-12(10)14/h4-6H,14H2,1-3H3.
What are the key properties of 4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine has a molecular weight of 258.35 g/mol, XLogP of 2.90, 1 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)-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 81456471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).