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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Related Compounds

Thiabendazole
CID 5430
5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
7-[5,6-Dimethyl-2-(1,3-Thiazol-4-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 72771095
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
n-Methylthiabendazole
CID 612049
4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
CID 776692
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
4-N-benzyl-8-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4,8-diamine
CID 25263285
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
N,N'-bis(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441062
1-methyl-2-{[(1-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}-1H-benzimidazole
CID 589534

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).