2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole

C18H19N5S — CID 75425173

IUPAC2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCc1cc2ncn(C(C)c3nc(-c4cnn(C)c4)cs3)c2cc1C
InChIInChI=1S/C18H19N5S/c1-11-5-15-17(6-12(11)2)23(10-19-15)13(3)18-21-16(9-24-18)14-7-20-22(4)8-14/h5-10,13H,1-4H3
InChIKeyIFCFTOAROMWHRL-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.12
Rot. Bonds3

About 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole

2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 75425173) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID75425173
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCc1cc2ncn(C(C)c3nc(-c4cnn(C)c4)cs3)c2cc1C
InChIInChI=1S/C18H19N5S/c1-11-5-15-17(6-12(11)2)23(10-19-15)13(3)18-21-16(9-24-18)14-7-20-22(4)8-14/h5-10,13H,1-4H3
InChIKeyIFCFTOAROMWHRL-UHFFFAOYSA-N
XLogP4.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
CID 124880975
tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 99839688
N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62542707
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
4-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944957
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
CID 165115873
4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 55084668
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 75425173) is 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole is Cc1cc2ncn(C(C)c3nc(-c4cnn(C)c4)cs3)c2cc1C.
What is the InChIKey of 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is IFCFTOAROMWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-11-5-15-17(6-12(11)2)23(10-19-15)13(3)18-21-16(9-24-18)14-7-20-22(4)8-14/h5-10,13H,1-4H3.
What are the key properties of 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole?
2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 337.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 75425173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).