N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

C16H19N3O4S — CID 46963601

IUPACN-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3(C)CCCO3)s2)c1OC
InChIInChI=1S/C16H19N3O4S/c1-16(8-5-9-23-16)14(20)17-15-19-18-13(24-15)10-6-4-7-11(21-2)12(10)22-3/h4,6-7H,5,8-9H2,1-3H3,(H,17,19,20)
InChIKeyDATJWKDZEKFQCA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.73
Rot. Bonds5

About N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (PubChem CID 46963601) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
PubChem CID46963601
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)C3(C)CCCO3)s2)c1OC
InChIInChI=1S/C16H19N3O4S/c1-16(8-5-9-23-16)14(20)17-15-19-18-13(24-15)10-6-4-7-11(21-2)12(10)22-3/h4,6-7H,5,8-9H2,1-3H3,(H,17,19,20)
InChIKeyDATJWKDZEKFQCA-UHFFFAOYSA-N
XLogP2.73
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51592506
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094681
N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 46951792
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
4-(aminomethyl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 120927245
(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121120
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103218

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (CID 46963601) is N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is COc1cccc(-c2nnc(NC(=O)C3(C)CCCO3)s2)c1OC.
What is the InChIKey of N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is DATJWKDZEKFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-16(8-5-9-23-16)14(20)17-15-19-18-13(24-15)10-6-4-7-11(21-2)12(10)22-3/h4,6-7H,5,8-9H2,1-3H3,(H,17,19,20).
What are the key properties of N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 46963601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).