N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

C18H15N3O4S — CID 100747200

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H15N3O4S/c1-23-13-4-2-3-11(9-13)16-17(26-21-20-16)18(22)19-12-5-6-14-15(10-12)25-8-7-24-14/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyHRSXLRHJHARVLM-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.24
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100747200) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100747200
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H15N3O4S/c1-23-13-4-2-3-11(9-13)16-17(26-21-20-16)18(22)19-12-5-6-14-15(10-12)25-8-7-24-14/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyHRSXLRHJHARVLM-UHFFFAOYSA-N
XLogP3.24
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116870
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4314806
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(4-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387014

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (CID 100747200) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is HRSXLRHJHARVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-23-13-4-2-3-11(9-13)16-17(26-21-20-16)18(22)19-12-5-6-14-15(10-12)25-8-7-24-14/h2-6,9-10H,7-8H2,1H3,(H,19,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).