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

C19H16F3N5O2S — CID 46940947

IUPAC5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)c(C)nc3s2)cc1OC
InChIInChI=1S/C19H16F3N5O2S/c1-9-15(11-6-12(19(20,21)22)16(23)24-8-11)27-18(25-9)30-17(26-27)10-4-5-13(28-2)14(7-10)29-3/h4-8H,1-3H3,(H2,23,24)
InChIKeyBYZDTGPFYDEWOP-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.45
Rot. Bonds4

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

5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 46940947) has the molecular formula C19H16F3N5O2S and a molecular weight of 435.43 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID46940947
Molecular FormulaC19H16F3N5O2S
Molecular Weight435.43 g/mol
Exact Mass435.10
IUPAC Name5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)c(C)nc3s2)cc1OC
InChIInChI=1S/C19H16F3N5O2S/c1-9-15(11-6-12(19(20,21)22)16(23)24-8-11)27-18(25-9)30-17(26-27)10-4-5-13(28-2)14(7-10)29-3/h4-8H,1-3H3,(H2,23,24)
InChIKeyBYZDTGPFYDEWOP-UHFFFAOYSA-N
XLogP4.45
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 46940947) is 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is COc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)c(C)nc3s2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BYZDTGPFYDEWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2S/c1-9-15(11-6-12(19(20,21)22)16(23)24-8-11)27-18(25-9)30-17(26-27)10-4-5-13(28-2)14(7-10)29-3/h4-8H,1-3H3,(H2,23,24).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 435.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 46940947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).