3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H20N4O2S2 — CID 18268026

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCSCc3cn4ccccc4n3)n2)cc1
InChIInChI=1S/C21H20N4O2S2/c1-27-17-7-5-15(6-8-17)18-14-29-21(23-18)24-20(26)9-11-28-13-16-12-25-10-3-2-4-19(25)22-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24,26)
InChIKeyYRFNKYQQOFHNDP-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.73
Rot. Bonds8

About 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 18268026) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID18268026
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCSCc3cn4ccccc4n3)n2)cc1
InChIInChI=1S/C21H20N4O2S2/c1-27-17-7-5-15(6-8-17)18-14-29-21(23-18)24-20(26)9-11-28-13-16-12-25-10-3-2-4-19(25)22-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24,26)
InChIKeyYRFNKYQQOFHNDP-UHFFFAOYSA-N
XLogP4.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324868
3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23945093
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8748330
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23796788
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 25330826
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 18268026) is 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCSCc3cn4ccccc4n3)n2)cc1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YRFNKYQQOFHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-27-17-7-5-15(6-8-17)18-14-29-21(23-18)24-20(26)9-11-28-13-16-12-25-10-3-2-4-19(25)22-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,24,26).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 18268026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).