5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole

C16H12N2OS2 — CID 122210710

IUPAC5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1occc1Sc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C16H12N2OS2/c1-11-13(7-9-19-11)21-15-14(12-5-3-2-4-6-12)17-16-18(15)8-10-20-16/h2-10H,1H3
InChIKeyYOXRUCITHAWTSY-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.12
Rot. Bonds3

About 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole

5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 122210710) has the molecular formula C16H12N2OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID122210710
Molecular FormulaC16H12N2OS2
Molecular Weight312.42 g/mol
Exact Mass312.04
IUPAC Name5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1occc1Sc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C16H12N2OS2/c1-11-13(7-9-19-11)21-15-14(12-5-3-2-4-6-12)17-16-18(15)8-10-20-16/h2-10H,1H3
InChIKeyYOXRUCITHAWTSY-UHFFFAOYSA-N
XLogP5.12
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
5-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 2999109
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
3-(4-methoxyphenyl)-1-(2-oxo-2-(thiophen-2-yl)ethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682330
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 656147
N-(furan-2-ylmethyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 5310014
Ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192455
(E)-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)prop-2-en-1-one
CID 168297853
(E)-1-(3,5-difluorophenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353477
2-[4-(Furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole
CID 11668411
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
CID 16676945

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole (CID 122210710) is 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole is Cc1occc1Sc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is YOXRUCITHAWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS2/c1-11-13(7-9-19-11)21-15-14(12-5-3-2-4-6-12)17-16-18(15)8-10-20-16/h2-10H,1H3.
What are the key properties of 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 312.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 122210710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).