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

C10H7ClF3N3O2S — CID 80625918

IUPAC5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(c1nnc(Cl)s1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C10H7ClF3N3O2S/c11-9-16-15-7(20-9)8(18)17(5-10(12,13)14)4-6-2-1-3-19-6/h1-3H,4-5H2
InChIKeyXNOOGYMKSVENBI-UHFFFAOYSA-N
MW325.70 g/mol
LogP2.99
Rot. Bonds4

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

5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625918) has the molecular formula C10H7ClF3N3O2S and a molecular weight of 325.70 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625918
Molecular FormulaC10H7ClF3N3O2S
Molecular Weight325.70 g/mol
Exact Mass324.99
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(c1nnc(Cl)s1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C10H7ClF3N3O2S/c11-9-16-15-7(20-9)8(18)17(5-10(12,13)14)4-6-2-1-3-19-6/h1-3H,4-5H2
InChIKeyXNOOGYMKSVENBI-UHFFFAOYSA-N
XLogP2.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103764896
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625918) is 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(c1nnc(Cl)s1)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XNOOGYMKSVENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O2S/c11-9-16-15-7(20-9)8(18)17(5-10(12,13)14)4-6-2-1-3-19-6/h1-3H,4-5H2.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 325.70 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).