4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile

C9H12N2OS — CID 82428336

IUPAC4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(CCOC)sc1C#N
InChIInChI=1S/C9H12N2OS/c1-3-7-8(6-10)13-9(11-7)4-5-12-2/h3-5H2,1-2H3
InChIKeyKJCVONQOUIXDCX-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.77
Rot. Bonds4

About 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile

4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82428336) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
PubChem CID82428336
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(CCOC)sc1C#N
InChIInChI=1S/C9H12N2OS/c1-3-7-8(6-10)13-9(11-7)4-5-12-2/h3-5H2,1-2H3
InChIKeyKJCVONQOUIXDCX-UHFFFAOYSA-N
XLogP1.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441073
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82429146
4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82440714
4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
CID 82429659
2-ethyl-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82433582

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile (CID 82428336) is 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile is CCc1nc(CCOC)sc1C#N.
What is the InChIKey of 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is KJCVONQOUIXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-7-8(6-10)13-9(11-7)4-5-12-2/h3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile?
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82428336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).