5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine

C17H16N6O2S — CID 66717059

IUPAC5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(C)c(-c4cnc(N)nc4)nc3s2)cc1OC
InChIInChI=1S/C17H16N6O2S/c1-9-14(11-7-19-16(18)20-8-11)21-17-23(9)22-15(26-17)10-4-5-12(24-2)13(6-10)25-3/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyLSOHFKPTVJXGOJ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.82
Rot. Bonds4

About 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine

5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine (PubChem CID 66717059) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine
PubChem CID66717059
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(C)c(-c4cnc(N)nc4)nc3s2)cc1OC
InChIInChI=1S/C17H16N6O2S/c1-9-14(11-7-19-16(18)20-8-11)21-17-23(9)22-15(26-17)10-4-5-12(24-2)13(6-10)25-3/h4-8H,1-3H3,(H2,18,19,20)
InChIKeyLSOHFKPTVJXGOJ-UHFFFAOYSA-N
XLogP2.82
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine (CID 66717059) is 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine is COc1ccc(-c2nn3c(C)c(-c4cnc(N)nc4)nc3s2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine?
The InChIKey is LSOHFKPTVJXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-9-14(11-7-19-16(18)20-8-11)21-17-23(9)22-15(26-17)10-4-5-12(24-2)13(6-10)25-3/h4-8H,1-3H3,(H2,18,19,20).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine?
5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine has a molecular weight of 368.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 66717059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).