N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide

C14H17N3O3S — CID 6460930

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOCc1nnc(NC(=O)CCc2ccc(OC)cc2)s1
InChIInChI=1S/C14H17N3O3S/c1-19-9-13-16-17-14(21-13)15-12(18)8-5-10-3-6-11(20-2)7-4-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,17,18)
InChIKeyUAYKQKKVHJIAFP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.26
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 6460930) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID6460930
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOCc1nnc(NC(=O)CCc2ccc(OC)cc2)s1
InChIInChI=1S/C14H17N3O3S/c1-19-9-13-16-17-14(21-13)15-12(18)8-5-10-3-6-11(20-2)7-4-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,17,18)
InChIKeyUAYKQKKVHJIAFP-UHFFFAOYSA-N
XLogP2.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide (CID 6460930) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide is COCc1nnc(NC(=O)CCc2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is UAYKQKKVHJIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-9-13-16-17-14(21-13)15-12(18)8-5-10-3-6-11(20-2)7-4-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 6460930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).