2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile

C10H8N2S2 — CID 116890031

IUPAC2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1ccsc1-c1nc(CC#N)cs1
InChIInChI=1S/C10H8N2S2/c1-7-3-5-13-9(7)10-12-8(2-4-11)6-14-10/h3,5-6H,2H2,1H3
InChIKeyUVJSMRYZPIEXAE-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.25
Rot. Bonds2

About 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 116890031) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID116890031
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1ccsc1-c1nc(CC#N)cs1
InChIInChI=1S/C10H8N2S2/c1-7-3-5-13-9(7)10-12-8(2-4-11)6-14-10/h3,5-6H,2H2,1H3
InChIKeyUVJSMRYZPIEXAE-UHFFFAOYSA-N
XLogP3.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile (CID 116890031) is 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile is Cc1ccsc1-c1nc(CC#N)cs1.
What is the InChIKey of 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is UVJSMRYZPIEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c1-7-3-5-13-9(7)10-12-8(2-4-11)6-14-10/h3,5-6H,2H2,1H3.
What are the key properties of 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 220.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 116890031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).