4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole

C11H14N2S — CID 23191351

IUPAC4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole
SMILESCC(C)(C)c1csc(-n2cccc2)n1
InChIInChI=1S/C11H14N2S/c1-11(2,3)9-8-14-10(12-9)13-6-4-5-7-13/h4-8H,1-3H3
InChIKeyDYXVIRHDWQTLGZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.23
Rot. Bonds1

About 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole

4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole (PubChem CID 23191351) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole
PubChem CID23191351
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole
SMILESCC(C)(C)c1csc(-n2cccc2)n1
InChIInChI=1S/C11H14N2S/c1-11(2,3)9-8-14-10(12-9)13-6-4-5-7-13/h4-8H,1-3H3
InChIKeyDYXVIRHDWQTLGZ-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole (CID 23191351) is 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole is CC(C)(C)c1csc(-n2cccc2)n1.
What is the InChIKey of 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole?
The InChIKey is DYXVIRHDWQTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2,3)9-8-14-10(12-9)13-6-4-5-7-13/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole?
4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole has a molecular weight of 206.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pyrrol-1-yl-1,3-thiazole is sourced from PubChem (CID 23191351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).