3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile

C18H13N7S — CID 10291948

IUPAC3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1
InChIInChI=1S/C18H13N7S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15/h2-9,11H,1H3,(H,22,23,24)
InChIKeyYNGFNKUXMJZNCR-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.71
Rot. Bonds4

About 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile

3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 10291948) has the molecular formula C18H13N7S and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
PubChem CID10291948
Molecular FormulaC18H13N7S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile
SMILESCc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1
InChIInChI=1S/C18H13N7S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15/h2-9,11H,1H3,(H,22,23,24)
InChIKeyYNGFNKUXMJZNCR-UHFFFAOYSA-N
XLogP3.71
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile (CID 10291948) is 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile is Cc1nccn1-c1sc(Nc2cnccn2)nc1-c1cccc(C#N)c1.
What is the InChIKey of 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is YNGFNKUXMJZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7S/c1-12-21-7-8-25(12)17-16(14-4-2-3-13(9-14)10-19)24-18(26-17)23-15-11-20-5-6-22-15/h2-9,11H,1H3,(H,22,23,24).
What are the key properties of 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile?
3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 359.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 10291948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).