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

C16H19N3O3S — CID 41145379

IUPAC(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(CCc2nnc(NC(=O)[C@H]3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14-18-19-16(23-14)17-15(20)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyRSQVMIQPVGVGNO-CYBMUJFWSA-N
MW333.41 g/mol
LogP2.45
Rot. Bonds6

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

(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 41145379) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID41145379
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCOc1ccc(CCc2nnc(NC(=O)[C@H]3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14-18-19-16(23-14)17-15(20)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyRSQVMIQPVGVGNO-CYBMUJFWSA-N
XLogP2.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-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

(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372
N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 650587
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
methyl 4-[[5-[[(2S)-oxolane-2-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 2120394
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 17193580
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
(1R,6R)-N-[5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98138065
N-[5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 46970391
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
(3R)-1-(3-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41145410

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 41145379) is (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is COc1ccc(CCc2nnc(NC(=O)[C@H]3CCCO3)s2)cc1.
What is the InChIKey of (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is RSQVMIQPVGVGNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14-18-19-16(23-14)17-15(20)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 41145379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).