N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C15H17N3OS — CID 53167876

IUPACN-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C15H17N3OS/c1-20-12-6-4-5-11(9-12)16-15(19)13-10-18-8-3-2-7-14(18)17-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)
InChIKeyWWKXMPTWGCZQER-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.19
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 53167876) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID53167876
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C15H17N3OS/c1-20-12-6-4-5-11(9-12)16-15(19)13-10-18-8-3-2-7-14(18)17-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)
InChIKeyWWKXMPTWGCZQER-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 53167876) is N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CSc1cccc(NC(=O)c2cn3c(n2)CCCC3)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WWKXMPTWGCZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-12-6-4-5-11(9-12)16-15(19)13-10-18-8-3-2-7-14(18)17-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19).
What are the key properties of N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 53167876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).