N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide

C9H14N4OS — CID 142435171

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
SMILESCCCc1nnc(NC(=O)C2CNC2)s1
InChIInChI=1S/C9H14N4OS/c1-2-3-7-12-13-9(15-7)11-8(14)6-4-10-5-6/h6,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyHASXVEUGEBBFKV-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.65
Rot. Bonds4

About N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide (PubChem CID 142435171) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
PubChem CID142435171
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
SMILESCCCc1nnc(NC(=O)C2CNC2)s1
InChIInChI=1S/C9H14N4OS/c1-2-3-7-12-13-9(15-7)11-8(14)6-4-10-5-6/h6,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyHASXVEUGEBBFKV-UHFFFAOYSA-N
XLogP0.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120919205
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
trans-(1R,3R)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958422
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43045933
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide (CID 142435171) is N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide is CCCc1nnc(NC(=O)C2CNC2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is HASXVEUGEBBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-3-7-12-13-9(15-7)11-8(14)6-4-10-5-6/h6,10H,2-5H2,1H3,(H,11,13,14).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 142435171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).