N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

C11H19N3OS — CID 132962669

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCCCc1nnc(NC(=O)C(C)CC)s1
InChIInChI=1S/C11H19N3OS/c1-4-6-7-9-13-14-11(16-9)12-10(15)8(3)5-2/h8H,4-7H2,1-3H3,(H,12,14,15)
InChIKeyUBRGLWMQJFJZQG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.87
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (PubChem CID 132962669) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
PubChem CID132962669
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCCCc1nnc(NC(=O)C(C)CC)s1
InChIInChI=1S/C11H19N3OS/c1-4-6-7-9-13-14-11(16-9)12-10(15)8(3)5-2/h8H,4-7H2,1-3H3,(H,12,14,15)
InChIKeyUBRGLWMQJFJZQG-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 79515533
(2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 95141316
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
CID 47082039

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (CID 132962669) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is CCCCc1nnc(NC(=O)C(C)CC)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The InChIKey is UBRGLWMQJFJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-6-7-9-13-14-11(16-9)12-10(15)8(3)5-2/h8H,4-7H2,1-3H3,(H,12,14,15).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide has a molecular weight of 241.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 132962669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).