N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide

C13H14ClN3OS — CID 80625347

IUPACN-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-2-8-17(9-10-6-4-3-5-7-10)12(18)11-15-16-13(14)19-11/h3-7H,2,8-9H2,1H3
InChIKeyHNMCUQJPZIUWHL-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide

N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625347) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625347
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-2-8-17(9-10-6-4-3-5-7-10)12(18)11-15-16-13(14)19-11/h3-7H,2,8-9H2,1H3
InChIKeyHNMCUQJPZIUWHL-UHFFFAOYSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625516
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
5-chloro-N,N-dihexyl-1,3,4-thiadiazole-2-carboxamide
CID 80618640
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 5035260
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
CID 107261621
5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
CID 61040072

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide (CID 80625347) is N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide is CCCN(Cc1ccccc1)C(=O)c1nnc(Cl)s1.
What is the InChIKey of N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HNMCUQJPZIUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-2-8-17(9-10-6-4-3-5-7-10)12(18)11-15-16-13(14)19-11/h3-7H,2,8-9H2,1H3.
What are the key properties of N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide?
N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).