7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

C19H20N4OS — CID 17448826

IUPAC7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESC=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2c(s1)CCCC2
InChIInChI=1S/C19H20N4OS/c1-3-9-23(19-21-14-6-4-5-7-16(14)25-19)18(24)15-12-22-10-8-13(2)11-17(22)20-15/h3,8,10-12H,1,4-7,9H2,2H3
InChIKeyYLIHGUOYQPKLIP-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.81
Rot. Bonds4

About 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 17448826) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID17448826
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESC=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2c(s1)CCCC2
InChIInChI=1S/C19H20N4OS/c1-3-9-23(19-21-14-6-4-5-7-16(14)25-19)18(24)15-12-22-10-8-13(2)11-17(22)20-15/h3,8,10-12H,1,4-7,9H2,2H3
InChIKeyYLIHGUOYQPKLIP-UHFFFAOYSA-N
XLogP3.81
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 17448826) is 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is C=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2c(s1)CCCC2.
What is the InChIKey of 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YLIHGUOYQPKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-9-23(19-21-14-6-4-5-7-16(14)25-19)18(24)15-12-22-10-8-13(2)11-17(22)20-15/h3,8,10-12H,1,4-7,9H2,2H3.
What are the key properties of 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 17448826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).