2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile

C10H14N2S — CID 82429545

IUPAC2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(C(C)(C)C)sc1C#N
InChIInChI=1S/C10H14N2S/c1-5-7-8(6-11)13-9(12-7)10(2,3)4/h5H2,1-4H3
InChIKeyVCDOFMHCBPGESV-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.87
Rot. Bonds1

About 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile

2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile (PubChem CID 82429545) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile
PubChem CID82429545
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(C(C)(C)C)sc1C#N
InChIInChI=1S/C10H14N2S/c1-5-7-8(6-11)13-9(12-7)10(2,3)4/h5H2,1-4H3
InChIKeyVCDOFMHCBPGESV-UHFFFAOYSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile (CID 82429545) is 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile is CCc1nc(C(C)(C)C)sc1C#N.
What is the InChIKey of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile?
The InChIKey is VCDOFMHCBPGESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-5-7-8(6-11)13-9(12-7)10(2,3)4/h5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile?
2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82429545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).