2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile

C7H8N2S — CID 46398261

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1nc(CC#N)sc1C
InChIInChI=1S/C7H8N2S/c1-5-6(2)10-7(9-5)3-4-8/h3H2,1-2H3
InChIKeyZZUFHCBRALCGFV-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.83
Rot. Bonds1

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile

2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 46398261) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID46398261
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1nc(CC#N)sc1C
InChIInChI=1S/C7H8N2S/c1-5-6(2)10-7(9-5)3-4-8/h3H2,1-2H3
InChIKeyZZUFHCBRALCGFV-UHFFFAOYSA-N
XLogP1.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 53517
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CID 9942366
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CID 86087415
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CID 15023058
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CID 16427140
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CID 21100233
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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile (CID 46398261) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile is Cc1nc(CC#N)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is ZZUFHCBRALCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-6(2)10-7(9-5)3-4-8/h3H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile?
2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 152.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 46398261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).