3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole

C15H24N2S — CID 160848640

IUPAC3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCC1=CC(C(C)C)=NC1.Cc1cnc(C(C)C)s1
InChIInChI=1S/C8H13N.C7H11NS/c1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-4-6(3)9-7/h4,6H,5H2,1-3H3;4-5H,1-3H3
InChIKeySIYWZMZTQHVDCU-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.62
Rot. Bonds2

About 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole

3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole (PubChem CID 160848640) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole
PubChem CID160848640
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole
SMILESCC1=CC(C(C)C)=NC1.Cc1cnc(C(C)C)s1
InChIInChI=1S/C8H13N.C7H11NS/c1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-4-6(3)9-7/h4,6H,5H2,1-3H3;4-5H,1-3H3
InChIKeySIYWZMZTQHVDCU-UHFFFAOYSA-N
XLogP4.62
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole (CID 160848640) is 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole is CC1=CC(C(C)C)=NC1.Cc1cnc(C(C)C)s1.
What is the InChIKey of 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is SIYWZMZTQHVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H11NS/c1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-4-6(3)9-7/h4,6H,5H2,1-3H3;4-5H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole?
3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 264.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-2H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160848640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).