4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile

C11H8N2S2 — CID 174821348

IUPAC4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile
SMILESCSc1nc(-c2ccccc2)sc1C#N
InChIInChI=1S/C11H8N2S2/c1-14-11-9(7-12)15-10(13-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFHUYVDZLAGJYMX-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.40
Rot. Bonds2

About 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile

4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile (PubChem CID 174821348) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile
PubChem CID174821348
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile
SMILESCSc1nc(-c2ccccc2)sc1C#N
InChIInChI=1S/C11H8N2S2/c1-14-11-9(7-12)15-10(13-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFHUYVDZLAGJYMX-UHFFFAOYSA-N
XLogP3.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
CID 12733556
4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile
CID 82434036
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
CID 82438533
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
3-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butanenitrile
CID 116887330
5-ethyl-2-phenyl-1,3-thiazol-4-ol
CID 13484654
4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889919
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile
CID 25065450
3-phenyl-1,2,4-thiadiazole-5-carbonitrile
CID 15394762

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile (CID 174821348) is 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile is CSc1nc(-c2ccccc2)sc1C#N.
What is the InChIKey of 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile?
The InChIKey is FHUYVDZLAGJYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c1-14-11-9(7-12)15-10(13-11)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile?
4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 174821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).