4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole

C21H29N3OS — CID 14676276

IUPAC4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole
SMILESCCCCCOc1cccn2c(Cc3nc(C)c(CCC)s3)c(C)nc12
InChIInChI=1S/C21H29N3OS/c1-5-7-8-13-25-18-11-9-12-24-17(15(3)23-21(18)24)14-20-22-16(4)19(26-20)10-6-2/h9,11-12H,5-8,10,13-14H2,1-4H3
InChIKeyBHMCLISPBJNHTO-UHFFFAOYSA-N
MW371.55 g/mol
LogP5.52
Rot. Bonds9

About 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole

4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole (PubChem CID 14676276) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole
PubChem CID14676276
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole
SMILESCCCCCOc1cccn2c(Cc3nc(C)c(CCC)s3)c(C)nc12
InChIInChI=1S/C21H29N3OS/c1-5-7-8-13-25-18-11-9-12-24-17(15(3)23-21(18)24)14-20-22-16(4)19(26-20)10-6-2/h9,11-12H,5-8,10,13-14H2,1-4H3
InChIKeyBHMCLISPBJNHTO-UHFFFAOYSA-N
XLogP5.52
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.55
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(8-heptoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055785
2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055784
2-[3-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82055769
[8-[3-(2,4-dichlorophenyl)propoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 131737642
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055762
6-[3-(2-carboxy-2-cyanoethenyl)-2-octoxyimidazo[1,2-a]pyridin-8-yl]oxyhexanoic acid
CID 139928782
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
2-(2-phenyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055757
8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole (CID 14676276) is 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole is CCCCCOc1cccn2c(Cc3nc(C)c(CCC)s3)c(C)nc12.
What is the InChIKey of 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole?
The InChIKey is BHMCLISPBJNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-5-7-8-13-25-18-11-9-12-24-17(15(3)23-21(18)24)14-20-22-16(4)19(26-20)10-6-2/h9,11-12H,5-8,10,13-14H2,1-4H3.
What are the key properties of 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole?
4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole has a molecular weight of 371.55 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-8-pentoxyimidazo[1,2-a]pyridin-3-yl)methyl]-5-propyl-1,3-thiazole is sourced from PubChem (CID 14676276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).