4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole

C11H17NS — CID 137412251

IUPAC4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC=C1SC=C(C(C)(C)C)N1/C=C\C
InChIInChI=1S/C11H17NS/c1-6-7-12-9(2)13-8-10(12)11(3,4)5/h6-8H,2H2,1,3-5H3/b7-6-
InChIKeyYLPXRRAYEPUEGT-SREVYHEPSA-N
MW195.33 g/mol
LogP3.93
Rot. Bonds1

About 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole

4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole (PubChem CID 137412251) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole
PubChem CID137412251
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC=C1SC=C(C(C)(C)C)N1/C=C\C
InChIInChI=1S/C11H17NS/c1-6-7-12-9(2)13-8-10(12)11(3,4)5/h6-8H,2H2,1,3-5H3/b7-6-
InChIKeyYLPXRRAYEPUEGT-SREVYHEPSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole (CID 137412251) is 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole is C=C1SC=C(C(C)(C)C)N1/C=C\C.
What is the InChIKey of 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole?
The InChIKey is YLPXRRAYEPUEGT-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17NS/c1-6-7-12-9(2)13-8-10(12)11(3,4)5/h6-8H,2H2,1,3-5H3/b7-6-.
What are the key properties of 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole?
4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 137412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).