4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C15H24N4O2S — CID 943863

IUPAC4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-11(2)14-17-18-15(22-14)16-12(20)7-8-13(21)19-9-5-3-4-6-10-19/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyQDRNRMJEAWZOCY-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.78
Rot. Bonds5

About 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 943863) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID943863
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-11(2)14-17-18-15(22-14)16-12(20)7-8-13(21)19-9-5-3-4-6-10-19/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyQDRNRMJEAWZOCY-UHFFFAOYSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1402982
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1084779
N-butyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 3065368
propyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 3065352
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
2-(cyclopropylmethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119695516
3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47399494
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 943863) is 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)c1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1.
What is the InChIKey of 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QDRNRMJEAWZOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(2)14-17-18-15(22-14)16-12(20)7-8-13(21)19-9-5-3-4-6-10-19/h11H,3-10H2,1-2H3,(H,16,18,20).
What are the key properties of 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 943863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).