(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

C16H18ClN3O3S — CID 51592506

IUPAC(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESC[C@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@@]2(C)CCCO2)s1
InChIInChI=1S/C16H18ClN3O3S/c1-10(23-12-6-4-11(17)5-7-12)13-19-20-15(24-13)18-14(21)16(2)8-3-9-22-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20,21)/t10-,16+/m0/s1
InChIKeyGQUUGTHALAEFMO-MGPLVRAMSA-N
MW367.86 g/mol
LogP3.84
Rot. Bonds5

About (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (PubChem CID 51592506) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
PubChem CID51592506
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESC[C@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@@]2(C)CCCO2)s1
InChIInChI=1S/C16H18ClN3O3S/c1-10(23-12-6-4-11(17)5-7-12)13-19-20-15(24-13)18-14(21)16(2)8-3-9-22-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20,21)/t10-,16+/m0/s1
InChIKeyGQUUGTHALAEFMO-MGPLVRAMSA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 32624049
N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 46963601
4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 46977822
5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 3155972
N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
CID 163338081
(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51498804
1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 155946731
N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide
CID 156584405
(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2667682
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
N-(3,5-dichloro-4-hydroxyphenyl)-2-methyloxolane-2-carboxamide
CID 82884665
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (CID 51592506) is (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is C[C@H](Oc1ccc(Cl)cc1)c1nnc(NC(=O)[C@@]2(C)CCCO2)s1.
What is the InChIKey of (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is GQUUGTHALAEFMO-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-10(23-12-6-4-11(17)5-7-12)13-19-20-15(24-13)18-14(21)16(2)8-3-9-22-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20,21)/t10-,16+/m0/s1.
What are the key properties of (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 51592506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).