2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile

C10H14N2S — CID 82426538

IUPAC2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCc1nc(CC(C)C)sc1CC#N
InChIInChI=1S/C10H14N2S/c1-7(2)6-10-12-8(3)9(13-10)4-5-11/h7H,4,6H2,1-3H3
InChIKeyXCDZJQPPEOFXRU-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile

2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82426538) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82426538
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCc1nc(CC(C)C)sc1CC#N
InChIInChI=1S/C10H14N2S/c1-7(2)6-10-12-8(3)9(13-10)4-5-11/h7H,4,6H2,1-3H3
InChIKeyXCDZJQPPEOFXRU-UHFFFAOYSA-N
XLogP2.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427622
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
CID 82668899
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
CID 82433596
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179
2-[2-[(2-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426152
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonitrile
CID 82438970

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile (CID 82426538) is 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile is Cc1nc(CC(C)C)sc1CC#N.
What is the InChIKey of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is XCDZJQPPEOFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7(2)6-10-12-8(3)9(13-10)4-5-11/h7H,4,6H2,1-3H3.
What are the key properties of 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile?
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82426538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).