N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

C15H18N4O2S — CID 3212796

IUPACN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESCOCCN(C(=O)C1CCC1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H18N4O2S/c1-21-9-8-19(14(20)11-4-2-5-11)15-18-17-13(22-15)12-6-3-7-16-10-12/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyWMFKCPREMNSKFH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.38
Rot. Bonds6

About N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (PubChem CID 3212796) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
PubChem CID3212796
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESCOCCN(C(=O)C1CCC1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H18N4O2S/c1-21-9-8-19(14(20)11-4-2-5-11)15-18-17-13(22-15)12-6-3-7-16-10-12/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyWMFKCPREMNSKFH-UHFFFAOYSA-N
XLogP2.38
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide
CID 645371
N-(2-Methoxy-ethyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 646286
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 647177
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 649676
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655
Tetrahydro-furan-2-carboxylic acid methyl-[5-(6-methyl-pyridin-3-yl)-[1,3,4]thiadiazol-2-yl]-amide
CID 656376
(E)-N-(2-methoxyethyl)-3-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 5770944
2-[(4-Methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24979758
N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 70695740
N-Cyclopentyl-3-methyl-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1444898

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (CID 3212796) is N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is COCCN(C(=O)C1CCC1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is WMFKCPREMNSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-9-8-19(14(20)11-4-2-5-11)15-18-17-13(22-15)12-6-3-7-16-10-12/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 3212796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).