4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole

C11H14N2S — CID 146351611

IUPAC4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1=CC(C2=NC(C)CS2)=CCN=C1
InChIInChI=1S/C11H14N2S/c1-8-5-10(3-4-12-6-8)11-13-9(2)7-14-11/h3,5-6,9H,4,7H2,1-2H3
InChIKeyWGUXMHQKCBRVKK-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.48
Rot. Bonds1

About 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole

4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 146351611) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole
PubChem CID146351611
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1=CC(C2=NC(C)CS2)=CCN=C1
InChIInChI=1S/C11H14N2S/c1-8-5-10(3-4-12-6-8)11-13-9(2)7-14-11/h3,5-6,9H,4,7H2,1-2H3
InChIKeyWGUXMHQKCBRVKK-UHFFFAOYSA-N
XLogP2.48
TPSA24.72 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole (CID 146351611) is 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole is CC1=CC(C2=NC(C)CS2)=CCN=C1.
What is the InChIKey of 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is WGUXMHQKCBRVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-5-10(3-4-12-6-8)11-13-9(2)7-14-11/h3,5-6,9H,4,7H2,1-2H3.
What are the key properties of 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole?
4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 206.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146351611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).