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

C15H17N3O3S — CID 3231190

IUPACN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)C3CCOC3)s2)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(14(19)11-7-8-21-9-11)15-17-16-13(22-15)10-3-5-12(20-2)6-4-10/h3-6,11H,7-9H2,1-2H3
InChIKeyMCDCJWLWBMBRCK-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.21
Rot. Bonds4

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

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide (PubChem CID 3231190) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide
PubChem CID3231190
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)C3CCOC3)s2)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(14(19)11-7-8-21-9-11)15-17-16-13(22-15)10-3-5-12(20-2)6-4-10/h3-6,11H,7-9H2,1-2H3
InChIKeyMCDCJWLWBMBRCK-UHFFFAOYSA-N
XLogP2.21
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide (CID 3231190) is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide is COc1ccc(-c2nnc(N(C)C(=O)C3CCOC3)s2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide?
The InChIKey is MCDCJWLWBMBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(14(19)11-7-8-21-9-11)15-17-16-13(22-15)10-3-5-12(20-2)6-4-10/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 3231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).