5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C16H20N4O3S2 — CID 166246760

IUPAC5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1cn2c(n1)CC(C(=O)N1CCc3sc(S(N)(=O)=O)cc3C1)CC2
InChIInChI=1S/C16H20N4O3S2/c1-10-8-19-4-2-11(6-14(19)18-10)16(21)20-5-3-13-12(9-20)7-15(24-13)25(17,22)23/h7-8,11H,2-6,9H2,1H3,(H2,17,22,23)
InChIKeyQWDVOLQAEWZJNQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.05
Rot. Bonds2

About 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 166246760) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID166246760
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1cn2c(n1)CC(C(=O)N1CCc3sc(S(N)(=O)=O)cc3C1)CC2
InChIInChI=1S/C16H20N4O3S2/c1-10-8-19-4-2-11(6-14(19)18-10)16(21)20-5-3-13-12(9-20)7-15(24-13)25(17,22)23/h7-8,11H,2-6,9H2,1H3,(H2,17,22,23)
InChIKeyQWDVOLQAEWZJNQ-UHFFFAOYSA-N
XLogP1.05
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 166246760) is 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is Cc1cn2c(n1)CC(C(=O)N1CCc3sc(S(N)(=O)=O)cc3C1)CC2.
What is the InChIKey of 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is QWDVOLQAEWZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-10-8-19-4-2-11(6-14(19)18-10)16(21)20-5-3-13-12(9-20)7-15(24-13)25(17,22)23/h7-8,11H,2-6,9H2,1H3,(H2,17,22,23).
What are the key properties of 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 380.50 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 166246760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).