N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C14H10ClN3O2S — CID 796709

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1
InChIInChI=1S/C14H10ClN3O2S/c15-10-5-3-9(4-6-10)8-12-17-18-14(21-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyUESZLVKLLGBHJG-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.63
Rot. Bonds4

About N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 796709) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID796709
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1
InChIInChI=1S/C14H10ClN3O2S/c15-10-5-3-9(4-6-10)8-12-17-18-14(21-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyUESZLVKLLGBHJG-UHFFFAOYSA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 1335381
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide
CID 17257371
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800714
N-[5-[2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1284119
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1303973
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 796709) is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is UESZLVKLLGBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-5-3-9(4-6-10)8-12-17-18-14(21-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 319.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 796709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).