N-(thiadiazol-4-yl)propanamide

C5H7N3OS — CID 54068198

IUPACN-(thiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1csnn1
InChIInChI=1S/C5H7N3OS/c1-2-5(9)6-4-3-10-8-7-4/h3H,2H2,1H3,(H,6,9)
InChIKeyLQAZEAIDVHFWSB-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.89
Rot. Bonds2

About N-(thiadiazol-4-yl)propanamide

N-(thiadiazol-4-yl)propanamide (PubChem CID 54068198) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-(thiadiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(thiadiazol-4-yl)propanamide
PubChem CID54068198
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-(thiadiazol-4-yl)propanamide
SMILESCCC(=O)Nc1csnn1
InChIInChI=1S/C5H7N3OS/c1-2-5(9)6-4-3-10-8-7-4/h3H,2H2,1H3,(H,6,9)
InChIKeyLQAZEAIDVHFWSB-UHFFFAOYSA-N
XLogP0.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-1,2,3-Thiadiazol-4-ylacetamide
CID 20977757
2,2-difluoro-N-(thiadiazol-4-yl)acetamide
CID 130679169
3-Amino-2,2-difluoro-n-(1,2,3-thiadiazol-4-yl)propanamide
CID 164646475
N-(thiadiazol-4-yl)prop-2-enamide
CID 68147008
N-(thiadiazol-4-yl)cyclopropanecarboxamide
CID 70119269
2-sulfanyl-N-(thiadiazol-4-yl)acetamide
CID 154162571
2-chloro-N-(thiadiazol-4-yl)acetamide
CID 154197729
2-methoxy-2-methyl-N-(thiadiazol-4-yl)propanamide
CID 130605400
2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide
CID 130635336
N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide
CID 130638983
4-methyl-N-(thiadiazol-4-yl)pentanamide
CID 130657574
2-methoxy-N-(thiadiazol-4-yl)propanamide
CID 130683606

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-yl)propanamide?
The IUPAC name of N-(thiadiazol-4-yl)propanamide (CID 54068198) is N-(thiadiazol-4-yl)propanamide.
What is the SMILES notation for N-(thiadiazol-4-yl)propanamide?
The canonical SMILES for N-(thiadiazol-4-yl)propanamide is CCC(=O)Nc1csnn1.
What is the InChIKey of N-(thiadiazol-4-yl)propanamide?
The InChIKey is LQAZEAIDVHFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-2-5(9)6-4-3-10-8-7-4/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-(thiadiazol-4-yl)propanamide?
N-(thiadiazol-4-yl)propanamide has a molecular weight of 157.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-yl)propanamide is sourced from PubChem (CID 54068198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).