N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide

C15H17N3O2S — CID 138009565

IUPACN-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S/c1-18(14(19)12-9-5-6-10-20-12)15-16-13(17-21-15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNOSUOSAHJMWFBS-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide

N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide (PubChem CID 138009565) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
PubChem CID138009565
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S/c1-18(14(19)12-9-5-6-10-20-12)15-16-13(17-21-15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNOSUOSAHJMWFBS-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
CID 86797605
(2R)-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1446968
(2R)-N-(6-chloro-2-pyridinyl)-N-methyloxolane-2-carboxamide
CID 126837047
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 161305549
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
(2S)-N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 1446995
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 43458438
benzene;oxane-2-carboxamide
CID 159532576
N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
CID 82118036
(2S)-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)oxane-2-carboxamide
CID 99926435
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide?
The IUPAC name of N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide (CID 138009565) is N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide is CN(C(=O)C1CCCCO1)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide?
The InChIKey is NOSUOSAHJMWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(14(19)12-9-5-6-10-20-12)15-16-13(17-21-15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide?
N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide is sourced from PubChem (CID 138009565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).