5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C8H6ClN3O2S — CID 80625309

IUPAC5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nnc(Cl)s1
InChIInChI=1S/C8H6ClN3O2S/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H,10,13)
InChIKeyKQHGSERZOAOIFQ-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.71
Rot. Bonds3

About 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625309) has the molecular formula C8H6ClN3O2S and a molecular weight of 243.67 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625309
Molecular FormulaC8H6ClN3O2S
Molecular Weight243.67 g/mol
Exact Mass242.99
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nnc(Cl)s1
InChIInChI=1S/C8H6ClN3O2S/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H,10,13)
InChIKeyKQHGSERZOAOIFQ-UHFFFAOYSA-N
XLogP1.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625309) is 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCc1ccco1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KQHGSERZOAOIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2S/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H,10,13).
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).