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

C16H19N3O4S — CID 3155136

IUPACN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19,20)
InChIKeyARGHVRXZUIMPLC-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.26
Rot. Bonds6

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

N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 3155136) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID3155136
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19,20)
InChIKeyARGHVRXZUIMPLC-UHFFFAOYSA-N
XLogP2.26
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 646403
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-acetamide
CID 651157
2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 777645
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1091318
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1623260
Ethyl {[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]amino}(oxo)acetate
CID 3155161
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2084461
2-(3,4-dimethoxyphenyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3151959
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 1086888
2-(2,3-dimethoxyphenyl)-N-[5-[4-[5-[[2-(2,3-dimethoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982533

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 3155136) is N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is COc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1OC.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is ARGHVRXZUIMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-21-11-6-5-10(8-13(11)22-2)9-14-18-19-16(24-14)17-15(20)12-4-3-7-23-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 3155136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).