2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole

C11H13NS — CID 89354527

IUPAC2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole
SMILESCC1=CCCC(c2cnc(C)s2)=C1
InChIInChI=1S/C11H13NS/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11/h4,6-7H,3,5H2,1-2H3
InChIKeyOXOKZQNJOGAMLD-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.58
Rot. Bonds1

About 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole

2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole (PubChem CID 89354527) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole
PubChem CID89354527
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole
SMILESCC1=CCCC(c2cnc(C)s2)=C1
InChIInChI=1S/C11H13NS/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11/h4,6-7H,3,5H2,1-2H3
InChIKeyOXOKZQNJOGAMLD-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole (CID 89354527) is 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole is CC1=CCCC(c2cnc(C)s2)=C1.
What is the InChIKey of 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole?
The InChIKey is OXOKZQNJOGAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-4-3-5-10(6-8)11-7-12-9(2)13-11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole?
2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole is sourced from PubChem (CID 89354527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).