2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide

C19H21N3OS — CID 82030222

IUPAC2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2C(C)C(N)=S)cc1C
InChIInChI=1S/C19H21N3OS/c1-11-7-8-22-16(9-11)21-17(18(22)13(3)19(20)24)14-5-6-15(23-4)12(2)10-14/h5-10,13H,1-4H3,(H2,20,24)
InChIKeyKVZYRTJZZOAGRK-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide

2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide (PubChem CID 82030222) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
PubChem CID82030222
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2C(C)C(N)=S)cc1C
InChIInChI=1S/C19H21N3OS/c1-11-7-8-22-16(9-11)21-17(18(22)13(3)19(20)24)14-5-6-15(23-4)12(2)10-14/h5-10,13H,1-4H3,(H2,20,24)
InChIKeyKVZYRTJZZOAGRK-UHFFFAOYSA-N
XLogP4.02
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39145993
2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 117068595
2-(2-tert-butyl-7-methylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030227
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030337
(2R)-2-chloro-N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016814
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030263
1-[2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029446
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
CID 65336599
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide (CID 82030222) is 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide.
What is the SMILES notation for 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The canonical SMILES for 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide is COc1ccc(-c2nc3cc(C)ccn3c2C(C)C(N)=S)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
The InChIKey is KVZYRTJZZOAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-11-7-8-22-16(9-11)21-17(18(22)13(3)19(20)24)14-5-6-15(23-4)12(2)10-14/h5-10,13H,1-4H3,(H2,20,24).
What are the key properties of 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide?
2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide has a molecular weight of 339.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide is sourced from PubChem (CID 82030222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).