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

C16H22N4O2S — CID 3212801

IUPACN-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCOCCN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)10-13(21)20(8-9-22-4)15-19-18-14(23-15)12-6-5-7-17-11-12/h5-7,11H,8-10H2,1-4H3
InChIKeyQRNYIVUEUTUWMB-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.02
Rot. Bonds6

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

N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3212801) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3212801
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCOCCN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)10-13(21)20(8-9-22-4)15-19-18-14(23-15)12-6-5-7-17-11-12/h5-7,11H,8-10H2,1-4H3
InChIKeyQRNYIVUEUTUWMB-UHFFFAOYSA-N
XLogP3.02
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.02
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
N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212803
(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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 3212801) is N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is COCCN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QRNYIVUEUTUWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,3)10-13(21)20(8-9-22-4)15-19-18-14(23-15)12-6-5-7-17-11-12/h5-7,11H,8-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 334.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3212801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).