3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile

C15H15ClN2OS — CID 141277348

IUPAC3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(C(C)(C)C)c2C#N)c1
InChIInChI=1S/C15H15ClN2OS/c1-9-5-6-11(16)12(7-9)19-14-10(8-17)13(18-20-14)15(2,3)4/h5-7H,1-4H3
InChIKeyCEUDDOHRWDNYEA-UHFFFAOYSA-N
MW306.82 g/mol
LogP5.07
Rot. Bonds2

About 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile

3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile (PubChem CID 141277348) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
PubChem CID141277348
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(C(C)(C)C)c2C#N)c1
InChIInChI=1S/C15H15ClN2OS/c1-9-5-6-11(16)12(7-9)19-14-10(8-17)13(18-20-14)15(2,3)4/h5-7H,1-4H3
InChIKeyCEUDDOHRWDNYEA-UHFFFAOYSA-N
XLogP5.07
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.82
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
CID 141277358
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66689688
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277389
N-[5-chloro-4-[[4-cyano-3-(3-methylpentan-3-yl)-1,2-thiazol-5-yl]oxy]-2-methylphenyl]-N',2-dimethylpropanimidamide
CID 66690374
5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 141399803
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 58283711

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile (CID 141277348) is 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile is Cc1ccc(Cl)c(Oc2snc(C(C)(C)C)c2C#N)c1.
What is the InChIKey of 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The InChIKey is CEUDDOHRWDNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-9-5-6-11(16)12(7-9)19-14-10(8-17)13(18-20-14)15(2,3)4/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile has a molecular weight of 306.82 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 141277348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).