5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine

C19H19N5S — CID 130424081

IUPAC5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)c(-c3nc4ccccc4[nH]3)s2)c(C)c1
InChIInChI=1S/C19H19N5S/c1-10-8-11(2)15(12(3)9-10)23-19-24-17(20)16(25-19)18-21-13-6-4-5-7-14(13)22-18/h4-9H,20H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXWQUFQWKZJZCMA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.94
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine

5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine (PubChem CID 130424081) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine
PubChem CID130424081
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)c(-c3nc4ccccc4[nH]3)s2)c(C)c1
InChIInChI=1S/C19H19N5S/c1-10-8-11(2)15(12(3)9-10)23-19-24-17(20)16(25-19)18-21-13-6-4-5-7-14(13)22-18/h4-9H,20H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXWQUFQWKZJZCMA-UHFFFAOYSA-N
XLogP4.94
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-benzimidazol-2-yl)-2-N-(2-nitrophenyl)-1,3-thiazole-2,4-diamine
CID 130424080
2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine
CID 121352810
2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 728731
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
CID 81432836
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine (CID 130424081) is 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine is Cc1cc(C)c(Nc2nc(N)c(-c3nc4ccccc4[nH]3)s2)c(C)c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine?
The InChIKey is XWQUFQWKZJZCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-10-8-11(2)15(12(3)9-10)23-19-24-17(20)16(25-19)18-21-13-6-4-5-7-14(13)22-18/h4-9H,20H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine?
5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine has a molecular weight of 349.46 g/mol, XLogP of 4.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 130424081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).