3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile

C19H23N3OS — CID 16727906

IUPAC3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile
SMILESCCCC1CCC(c2ccc(Nc3s[nH]c(=O)c3C#N)cc2)CC1
InChIInChI=1S/C19H23N3OS/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)21-19-17(12-20)18(23)22-24-19/h8-11,13-14,21H,2-7H2,1H3,(H,22,23)
InChIKeyMHOHBGMGYMSUQI-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.13
Rot. Bonds5

About 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile

3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile (PubChem CID 16727906) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile
PubChem CID16727906
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile
SMILESCCCC1CCC(c2ccc(Nc3s[nH]c(=O)c3C#N)cc2)CC1
InChIInChI=1S/C19H23N3OS/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)21-19-17(12-20)18(23)22-24-19/h8-11,13-14,21H,2-7H2,1H3,(H,22,23)
InChIKeyMHOHBGMGYMSUQI-UHFFFAOYSA-N
XLogP5.13
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-bromo-3-(trifluoromethyl)anilino]-3-oxo-1,2-thiazole-4-carbonitrile
CID 16727924
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
(4-propylcyclohexyl)benzene
CID 155887669
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
5-[4-(4-propylcyclohexyl)phenyl]penta-2,4-diynenitrile
CID 22123959
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137
4-(4-butylcyclohexyl)-N-methylaniline
CID 21348956

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile (CID 16727906) is 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile is CCCC1CCC(c2ccc(Nc3s[nH]c(=O)c3C#N)cc2)CC1.
What is the InChIKey of 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile?
The InChIKey is MHOHBGMGYMSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)21-19-17(12-20)18(23)22-24-19/h8-11,13-14,21H,2-7H2,1H3,(H,22,23).
What are the key properties of 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile?
3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile has a molecular weight of 341.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-[4-(4-propylcyclohexyl)anilino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 16727906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).