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

C18H17N5S — CID 124880975

IUPAC2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
SMILESCc1cc2ncn([C@@H](C)c3nc(-c4cnccn4)cs3)c2cc1C
InChIInChI=1S/C18H17N5S/c1-11-6-14-17(7-12(11)2)23(10-21-14)13(3)18-22-16(9-24-18)15-8-19-4-5-20-15/h4-10,13H,1-3H3/t13-/m0/s1
InChIKeyNKRJZJJMFGGHGV-ZDUSSCGKSA-N
MW335.44 g/mol
LogP4.18
Rot. Bonds3

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

2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole (PubChem CID 124880975) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
PubChem CID124880975
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
SMILESCc1cc2ncn([C@@H](C)c3nc(-c4cnccn4)cs3)c2cc1C
InChIInChI=1S/C18H17N5S/c1-11-6-14-17(7-12(11)2)23(10-21-14)13(3)18-22-16(9-24-18)15-8-19-4-5-20-15/h4-10,13H,1-3H3/t13-/m0/s1
InChIKeyNKRJZJJMFGGHGV-ZDUSSCGKSA-N
XLogP4.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole
CID 124880974
2-[1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 75425173
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
CID 83044057
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 79292830
5,6-dimethyl-17-pyrazin-2-yl-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 56589498
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
CID 167754412
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62562633
1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
CID 43797835
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
CID 54945365

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole (CID 124880975) is 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole is Cc1cc2ncn([C@@H](C)c3nc(-c4cnccn4)cs3)c2cc1C.
What is the InChIKey of 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole?
The InChIKey is NKRJZJJMFGGHGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5S/c1-11-6-14-17(7-12(11)2)23(10-21-14)13(3)18-22-16(9-24-18)15-8-19-4-5-20-15/h4-10,13H,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole?
2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole has a molecular weight of 335.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(5,6-dimethylbenzimidazol-1-yl)ethyl]-4-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 124880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).