2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

C18H17N3O3S2 — CID 75369437

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCOc1cccc(-c2nsc(NC(=O)CC3OCCc4ccsc43)n2)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-4-2-3-12(9-13)17-20-18(26-21-17)19-15(22)10-14-16-11(5-7-24-14)6-8-25-16/h2-4,6,8-9,14H,5,7,10H2,1H3,(H,19,20,21,22)
InChIKeyNVHQHHMIAMBSAK-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.92
Rot. Bonds5

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 75369437) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID75369437
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCOc1cccc(-c2nsc(NC(=O)CC3OCCc4ccsc43)n2)c1
InChIInChI=1S/C18H17N3O3S2/c1-23-13-4-2-3-12(9-13)17-20-18(26-21-17)19-15(22)10-14-16-11(5-7-24-14)6-8-25-16/h2-4,6,8-9,14H,5,7,10H2,1H3,(H,19,20,21,22)
InChIKeyNVHQHHMIAMBSAK-UHFFFAOYSA-N
XLogP3.92
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 102556340
4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 97185195
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102558788
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126775905
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide
CID 102556585
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 97029603
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 75369437) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide is COc1cccc(-c2nsc(NC(=O)CC3OCCc4ccsc43)n2)c1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is NVHQHHMIAMBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-23-13-4-2-3-12(9-13)17-20-18(26-21-17)19-15(22)10-14-16-11(5-7-24-14)6-8-25-16/h2-4,6,8-9,14H,5,7,10H2,1H3,(H,19,20,21,22).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 75369437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).