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

C17H21N3O3S — CID 119040368

IUPACN-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCOc1cccc(Cc2nnc(NC(=O)C3OC(C)CC3C)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-7-11(2)23-15(10)16(21)18-17-20-19-14(24-17)9-12-5-4-6-13(8-12)22-3/h4-6,8,10-11,15H,7,9H2,1-3H3,(H,18,20,21)
InChIKeyCKPIHIGXRWGUMT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.89
Rot. Bonds5

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

N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide (PubChem CID 119040368) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
PubChem CID119040368
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCOc1cccc(Cc2nnc(NC(=O)C3OC(C)CC3C)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-7-11(2)23-15(10)16(21)18-17-20-19-14(24-17)9-12-5-4-6-13(8-12)22-3/h4-6,8,10-11,15H,7,9H2,1-3H3,(H,18,20,21)
InChIKeyCKPIHIGXRWGUMT-UHFFFAOYSA-N
XLogP2.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
(2S)-2-amino-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119319877
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 154754274
4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631356
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 155503297
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide (CID 119040368) is N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide is COc1cccc(Cc2nnc(NC(=O)C3OC(C)CC3C)s2)c1.
What is the InChIKey of N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is CKPIHIGXRWGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-7-11(2)23-15(10)16(21)18-17-20-19-14(24-17)9-12-5-4-6-13(8-12)22-3/h4-6,8,10-11,15H,7,9H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide?
N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 119040368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).