2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole

C8H11N3S — CID 107646490

IUPAC2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1cn2nc(C)sc2n1
InChIInChI=1S/C8H11N3S/c1-3-4-7-5-11-8(9-7)12-6(2)10-11/h5H,3-4H2,1-2H3
InChIKeyMPHXVGAFJKCTFK-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole

2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646490) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646490
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCc1cn2nc(C)sc2n1
InChIInChI=1S/C8H11N3S/c1-3-4-7-5-11-8(9-7)12-6(2)10-11/h5H,3-4H2,1-2H3
InChIKeyMPHXVGAFJKCTFK-UHFFFAOYSA-N
XLogP2.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658
ethyl 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate
CID 13426063
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 570967
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
2,3,5-trimethyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70729875
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907735
2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
CID 39749826
3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110873509
2-N,2-N,5,6-tetramethyl-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine
CID 50949112
1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110874818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646490) is 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole is CCCc1cn2nc(C)sc2n1.
What is the InChIKey of 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MPHXVGAFJKCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-4-7-5-11-8(9-7)12-6(2)10-11/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole?
2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).