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

C17H24N4OS — CID 3767768

IUPAC3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)CN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H24N4OS/c1-12(2)11-21(14(22)9-17(3,4)5)16-20-19-15(23-16)13-7-6-8-18-10-13/h6-8,10,12H,9,11H2,1-5H3
InChIKeyMFVNIMMUTZWWKK-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.03
Rot. Bonds5

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

3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 3767768) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID3767768
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)CN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H24N4OS/c1-12(2)11-21(14(22)9-17(3,4)5)16-20-19-15(23-16)13-7-6-8-18-10-13/h6-8,10,12H,9,11H2,1-5H3
InChIKeyMFVNIMMUTZWWKK-UHFFFAOYSA-N
XLogP4.03
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 3767768) is 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)CN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is MFVNIMMUTZWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)11-21(14(22)9-17(3,4)5)16-20-19-15(23-16)13-7-6-8-18-10-13/h6-8,10,12H,9,11H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 332.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 3767768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).