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

C18H16N4S — CID 71442196

IUPAC4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3nc4ccccc4n3C)cs2)cc1
InChIInChI=1S/C18H16N4S/c1-12-7-9-13(10-8-12)19-18-21-15(11-23-18)17-20-14-5-3-4-6-16(14)22(17)2/h3-11H,1-2H3,(H,19,21)
InChIKeyPMJNSZYKGLCENY-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.75
Rot. Bonds3

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

4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 71442196) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID71442196
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3nc4ccccc4n3C)cs2)cc1
InChIInChI=1S/C18H16N4S/c1-12-7-9-13(10-8-12)19-18-21-15(11-23-18)17-20-14-5-3-4-6-16(14)22(17)2/h3-11H,1-2H3,(H,19,21)
InChIKeyPMJNSZYKGLCENY-UHFFFAOYSA-N
XLogP4.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 71442196) is 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3nc4ccccc4n3C)cs2)cc1.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PMJNSZYKGLCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-12-7-9-13(10-8-12)19-18-21-15(11-23-18)17-20-14-5-3-4-6-16(14)22(17)2/h3-11H,1-2H3,(H,19,21).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).