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

C14H16ClN3O2S2 — CID 31039879

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESCCCCc1nnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C14H16ClN3O2S2/c1-2-3-4-13-17-18-14(22-13)16-12(20)8-5-9(19)10-6-7-11(15)21-10/h6-7H,2-5,8H2,1H3,(H,16,18,20)
InChIKeyPMFIZVQBZIOZLN-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.20
Rot. Bonds8

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (PubChem CID 31039879) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
PubChem CID31039879
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESCCCCc1nnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1
InChIInChI=1S/C14H16ClN3O2S2/c1-2-3-4-13-17-18-14(22-13)16-12(20)8-5-9(19)10-6-7-11(15)21-10/h6-7H,2-5,8H2,1H3,(H,16,18,20)
InChIKeyPMFIZVQBZIOZLN-UHFFFAOYSA-N
XLogP4.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
CID 2072795
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (CID 31039879) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is CCCCc1nnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The InChIKey is PMFIZVQBZIOZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-2-3-4-13-17-18-14(22-13)16-12(20)8-5-9(19)10-6-7-11(15)21-10/h6-7H,2-5,8H2,1H3,(H,16,18,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide has a molecular weight of 357.89 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 31039879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).