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

C9H15N3OS — CID 3065345

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CC)s1
InChIInChI=1S/C9H15N3OS/c1-3-5-6-8-11-12-9(14-8)10-7(13)4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyYDTBZURELBELNV-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.23
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3065345) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3065345
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CC)s1
InChIInChI=1S/C9H15N3OS/c1-3-5-6-8-11-12-9(14-8)10-7(13)4-2/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyYDTBZURELBELNV-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 702044
N-[5-(2-Methoxy-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 2021787
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080978
N-(5-Methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 234612
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 839902
Propionamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 213280
Acetamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-
CID 167430
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3101011
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 741742
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 8750027
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 745391
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1624767

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (CID 3065345) is N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCc1nnc(NC(=O)CC)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is YDTBZURELBELNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-5-6-8-11-12-9(14-8)10-7(13)4-2/h3-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 2.23, 5 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)propanamide is sourced from PubChem (CID 3065345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).