ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate

C16H15NO3S3 — CID 155310701

IUPACethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(SC)sc2c1OCc1ccccc1
InChIInChI=1S/C16H15NO3S3/c1-3-19-15(18)13-11(20-9-10-7-5-4-6-8-10)12-14(22-13)17-16(21-2)23-12/h4-8H,3,9H2,1-2H3
InChIKeySDTHEFXATLYRMF-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.84
Rot. Bonds6

About ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate

ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 155310701) has the molecular formula C16H15NO3S3 and a molecular weight of 365.50 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID155310701
Molecular FormulaC16H15NO3S3
Molecular Weight365.50 g/mol
Exact Mass365.02
IUPAC Nameethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(SC)sc2c1OCc1ccccc1
InChIInChI=1S/C16H15NO3S3/c1-3-19-15(18)13-11(20-9-10-7-5-4-6-8-10)12-14(22-13)17-16(21-2)23-12/h4-8H,3,9H2,1-2H3
InChIKeySDTHEFXATLYRMF-UHFFFAOYSA-N
XLogP4.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
ethyl 2-methylsulfanyl-4-[(triphenyl-λ5-phosphanylidene)amino]-1,3-thiazole-5-carboxylate
CID 10896100
ethyl 2-methylsulfanyl-4-(1-phenylpropan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylate
CID 91146150
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
diethyl 3-acetyloxy-4-[[3-[[4-acetyloxy-2,5-bis(ethoxycarbonyl)thiophen-3-yl]oxymethyl]phenyl]methoxy]thiophene-2,5-dicarboxylate
CID 132548974
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3440881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate (CID 155310701) is ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(SC)sc2c1OCc1ccccc1.
What is the InChIKey of ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is SDTHEFXATLYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S3/c1-3-19-15(18)13-11(20-9-10-7-5-4-6-8-10)12-14(22-13)17-16(21-2)23-12/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-6-phenylmethoxythieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 155310701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).