2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole

C11H14N2S — CID 146351517

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCc1cnc(C2=NC(C)CS2)c(C)c1
InChIInChI=1S/C11H14N2S/c1-7-4-8(2)10(12-5-7)11-13-9(3)6-14-11/h4-5,9H,6H2,1-3H3
InChIKeyIBRHFGASLKOKBG-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.58
Rot. Bonds1

About 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole

2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 146351517) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID146351517
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCc1cnc(C2=NC(C)CS2)c(C)c1
InChIInChI=1S/C11H14N2S/c1-7-4-8(2)10(12-5-7)11-13-9(3)6-14-11/h4-5,9H,6H2,1-3H3
InChIKeyIBRHFGASLKOKBG-UHFFFAOYSA-N
XLogP2.58
TPSA25.25 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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole (CID 146351517) is 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole is Cc1cnc(C2=NC(C)CS2)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is IBRHFGASLKOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-4-8(2)10(12-5-7)11-13-9(3)6-14-11/h4-5,9H,6H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole?
2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 206.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146351517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).