4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole

C14H23NS2 — CID 58263902

IUPAC4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole
SMILESCC(C)(C)CS/C=C\c1nscc1C(C)(C)C
InChIInChI=1S/C14H23NS2/c1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h7-9H,10H2,1-6H3/b8-7-
InChIKeyFNMJYJMBMCGROD-FPLPWBNLSA-N
MW269.48 g/mol
LogP5.19
Rot. Bonds3

About 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole

4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole (PubChem CID 58263902) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole.

Molecular Properties

Compound Name4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole
PubChem CID58263902
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole
SMILESCC(C)(C)CS/C=C\c1nscc1C(C)(C)C
InChIInChI=1S/C14H23NS2/c1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h7-9H,10H2,1-6H3/b8-7-
InChIKeyFNMJYJMBMCGROD-FPLPWBNLSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole?
The IUPAC name of 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole (CID 58263902) is 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole.
What is the SMILES notation for 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole?
The canonical SMILES for 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole is CC(C)(C)CS/C=C\c1nscc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole?
The InChIKey is FNMJYJMBMCGROD-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H23NS2/c1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h7-9H,10H2,1-6H3/b8-7-.
What are the key properties of 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole?
4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole has a molecular weight of 269.48 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[(Z)-2-(2,2-dimethylpropylsulfanyl)ethenyl]-1,2-thiazole is sourced from PubChem (CID 58263902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).