5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

C16H16F2N6S — CID 74235878

IUPAC5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1
InChIInChI=1S/C16H16F2N6S/c1-23(2)15-21-16(25-22-15)24-6-5-12-13(8-24)20-14(19-12)10-4-3-9(17)7-11(10)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyIGIYEYNPBQIBNJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.84
Rot. Bonds3

About 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (PubChem CID 74235878) has the molecular formula C16H16F2N6S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
PubChem CID74235878
Molecular FormulaC16H16F2N6S
Molecular Weight362.41 g/mol
Exact Mass362.11
IUPAC Name5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1
InChIInChI=1S/C16H16F2N6S/c1-23(2)15-21-16(25-22-15)24-6-5-12-13(8-24)20-14(19-12)10-4-3-9(17)7-11(10)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyIGIYEYNPBQIBNJ-UHFFFAOYSA-N
XLogP2.84
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CID 74235878) is 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(N2CCc3nc(-c4ccc(F)cc4F)[nH]c3C2)n1.
What is the InChIKey of 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is IGIYEYNPBQIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6S/c1-23(2)15-21-16(25-22-15)24-6-5-12-13(8-24)20-14(19-12)10-4-3-9(17)7-11(10)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine has a molecular weight of 362.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 74235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).