2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole

C12H18N2S — CID 142189187

IUPAC2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole
SMILESCCCC1=NCC(C)C(C2=NCCS2)=C1
InChIInChI=1S/C12H18N2S/c1-3-4-10-7-11(9(2)8-14-10)12-13-5-6-15-12/h7,9H,3-6,8H2,1-2H3
InChIKeyXVEOXVSYPCJQHV-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole

2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 142189187) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole
PubChem CID142189187
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole
SMILESCCCC1=NCC(C)C(C2=NCCS2)=C1
InChIInChI=1S/C12H18N2S/c1-3-4-10-7-11(9(2)8-14-10)12-13-5-6-15-12/h7,9H,3-6,8H2,1-2H3
InChIKeyXVEOXVSYPCJQHV-UHFFFAOYSA-N
XLogP2.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
CID 137412243
(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170593162
ethane;(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732082
2-Hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 174626693
5-(3-butylsulfanyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 159577909

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole (CID 142189187) is 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole is CCCC1=NCC(C)C(C2=NCCS2)=C1.
What is the InChIKey of 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is XVEOXVSYPCJQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-4-10-7-11(9(2)8-14-10)12-13-5-6-15-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole?
2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 222.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 142189187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).