4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

C22H24N4S — CID 24789416

IUPAC4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4S/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)16(3)23-22-25-19(14-27-22)17-11-9-15(2)10-12-17/h5-12,14,16H,4,13H2,1-3H3,(H,23,25)
InChIKeyHAZXNWWCGPAJHY-UHFFFAOYSA-N
MW376.53 g/mol
LogP6.05
Rot. Bonds6

About 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 24789416) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID24789416
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4S/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)16(3)23-22-25-19(14-27-22)17-11-9-15(2)10-12-17/h5-12,14,16H,4,13H2,1-3H3,(H,23,25)
InChIKeyHAZXNWWCGPAJHY-UHFFFAOYSA-N
XLogP6.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ikk-IN-3
CID 10215156
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
n-Methylthiabendazole
CID 612049
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
Ikk-IN-4
CID 25093448
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
N-Phenethyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 611858
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
N~1~-[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-N~4~,N~4~-dimethyl-1,4-benzenediamine
CID 1068724
2-(2-thiazol-4-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9400179
N-{4-[2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}-1,3-benzothiazol-2-amine
CID 9842708

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (CID 24789416) is 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is CCCn1c(C(C)Nc2nc(-c3ccc(C)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is HAZXNWWCGPAJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)16(3)23-22-25-19(14-27-22)17-11-9-15(2)10-12-17/h5-12,14,16H,4,13H2,1-3H3,(H,23,25).
What are the key properties of 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 376.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).