8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

C24H27N3O2S2 — CID 22024602

IUPAC8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(c1ccsc1)c1c(SC)nc2c(-c3c(OC)cc(C)cc3OC)cccn12
InChIInChI=1S/C24H27N3O2S2/c1-6-10-26(17-9-12-31-15-17)24-23(30-5)25-22-18(8-7-11-27(22)24)21-19(28-3)13-16(2)14-20(21)29-4/h7-9,11-15H,6,10H2,1-5H3
InChIKeyOVEWECOOOPAIAC-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.66
Rot. Bonds8

About 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 22024602) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID22024602
Molecular FormulaC24H27N3O2S2
Molecular Weight453.63 g/mol
Exact Mass453.15
IUPAC Name8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCCCN(c1ccsc1)c1c(SC)nc2c(-c3c(OC)cc(C)cc3OC)cccn12
InChIInChI=1S/C24H27N3O2S2/c1-6-10-26(17-9-12-31-15-17)24-23(30-5)25-22-18(8-7-11-27(22)24)21-19(28-3)13-16(2)14-20(21)29-4/h7-9,11-15H,6,10H2,1-5H3
InChIKeyOVEWECOOOPAIAC-UHFFFAOYSA-N
XLogP6.66
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (CID 22024602) is 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is CCCN(c1ccsc1)c1c(SC)nc2c(-c3c(OC)cc(C)cc3OC)cccn12.
What is the InChIKey of 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is OVEWECOOOPAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-6-10-26(17-9-12-31-15-17)24-23(30-5)25-22-18(8-7-11-27(22)24)21-19(28-3)13-16(2)14-20(21)29-4/h7-9,11-15H,6,10H2,1-5H3.
What are the key properties of 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 453.63 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 22024602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).