[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone

C16H14N4O2S2 — CID 92628891

IUPAC[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
SMILESCOc1cccc(-c2nc3c(s2)CN(C(=O)c2csnn2)CC3)c1
InChIInChI=1S/C16H14N4O2S2/c1-22-11-4-2-3-10(7-11)15-17-12-5-6-20(8-14(12)24-15)16(21)13-9-23-19-18-13/h2-4,7,9H,5-6,8H2,1H3
InChIKeyIIFXGCGOLSXIPS-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.87
Rot. Bonds3

About [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone

[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone (PubChem CID 92628891) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
PubChem CID92628891
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone
SMILESCOc1cccc(-c2nc3c(s2)CN(C(=O)c2csnn2)CC3)c1
InChIInChI=1S/C16H14N4O2S2/c1-22-11-4-2-3-10(7-11)15-17-12-5-6-20(8-14(12)24-15)16(21)13-9-23-19-18-13/h2-4,7,9H,5-6,8H2,1H3
InChIKeyIIFXGCGOLSXIPS-UHFFFAOYSA-N
XLogP2.87
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033115
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124
(3-fluorophenyl)-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 50770226
[2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 50770228
2-[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 110244347
5-(3,4-dimethoxyphenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060436
1-[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 95851674
tert-butyl 2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 168510058
5-(4-bromophenyl)sulfonyl-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53060433
2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82301119

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone (CID 92628891) is [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone is COc1cccc(-c2nc3c(s2)CN(C(=O)c2csnn2)CC3)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is IIFXGCGOLSXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-22-11-4-2-3-10(7-11)15-17-12-5-6-20(8-14(12)24-15)16(21)13-9-23-19-18-13/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone?
[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 92628891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).