2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile

C9H12N2S — CID 82431269

IUPAC2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(CC)sc1C#N
InChIInChI=1S/C9H12N2S/c1-3-5-7-8(6-10)12-9(4-2)11-7/h3-5H2,1-2H3
InChIKeyZWQNBQRYVFLDJK-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.53
Rot. Bonds3

About 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile

2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile (PubChem CID 82431269) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
PubChem CID82431269
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(CC)sc1C#N
InChIInChI=1S/C9H12N2S/c1-3-5-7-8(6-10)12-9(4-2)11-7/h3-5H2,1-2H3
InChIKeyZWQNBQRYVFLDJK-UHFFFAOYSA-N
XLogP2.53
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82432148
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
2-ethyl-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82433582
4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320
5-bromo-2-ethyl-4-propyl-1,3-thiazole
CID 130153388
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82433394
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82440714
2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82429146
4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
CID 82429659
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile (CID 82431269) is 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile is CCCc1nc(CC)sc1C#N.
What is the InChIKey of 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile?
The InChIKey is ZWQNBQRYVFLDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-5-7-8(6-10)12-9(4-2)11-7/h3-5H2,1-2H3.
What are the key properties of 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile?
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile has a molecular weight of 180.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82431269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).