4-(4-methyl-1,3-thiazol-5-yl)benzonitrile

C11H8N2S — CID 19877181

IUPAC4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
SMILESCc1ncsc1-c1ccc(C#N)cc1
InChIInChI=1S/C11H8N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKeyREUDLMVWBUGLDA-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile

4-(4-methyl-1,3-thiazol-5-yl)benzonitrile (PubChem CID 19877181) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
PubChem CID19877181
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
SMILESCc1ncsc1-c1ccc(C#N)cc1
InChIInChI=1S/C11H8N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3
InChIKeyREUDLMVWBUGLDA-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
2-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 236604
4,5-Diphenyl-1,3-thiazole
CID 837859
5-Thiazoleethanamine, 4-methyl-N-(1-methyl-2-phenylethyl)-, monohydrochloride
CID 11971059
[4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
CID 126766938
1-(4-Methyl-5-thiazolyl)-1-phenylmethylamine
CID 9881256
1-(Trifluoromethyl)-4-(2,4-dimethyl-5-thiazolyl)benzene
CID 58245749
5-(2-Fluorophenyl)-4-methyl-1,3-thiazole
CID 67275020
5-(3-Fluorophenyl)-4-methyl-1,3-thiazole
CID 70235938
(S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethan-1-amine
CID 122423107
Thiazole, 5-methyl-4-phenyl-
CID 208272
5-(4-Methylphenyl)-1,3-thiazole
CID 15532483

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile?
The IUPAC name of 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile (CID 19877181) is 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile is Cc1ncsc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile?
The InChIKey is REUDLMVWBUGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile?
4-(4-methyl-1,3-thiazol-5-yl)benzonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-5-yl)benzonitrile is sourced from PubChem (CID 19877181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).