N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide

C17H22N4OS — CID 1444898

IUPACN-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)CC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1
InChIInChI=1S/C17H22N4OS/c1-12(2)10-15(22)21(14-7-3-4-8-14)17-20-19-16(23-17)13-6-5-9-18-11-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3
InChIKeyHJGNUWKUBYYUBB-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.92
Rot. Bonds5

About N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide

N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1444898) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1444898
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)CC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1
InChIInChI=1S/C17H22N4OS/c1-12(2)10-15(22)21(14-7-3-4-8-14)17-20-19-16(23-17)13-6-5-9-18-11-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3
InChIKeyHJGNUWKUBYYUBB-UHFFFAOYSA-N
XLogP3.92
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
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
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1446983
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
N-butyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 70689430
N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 70693630
N-butyl-2-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 70693631
N-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 70695740
N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1155057

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 1444898) is N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)CC(=O)N(c1nnc(-c2cccnc2)s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is HJGNUWKUBYYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(2)10-15(22)21(14-7-3-4-8-14)17-20-19-16(23-17)13-6-5-9-18-11-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 330.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1444898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).