N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

C19H19ClN4O3S — CID 3222099

About N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (PubChem CID 3222099) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
• PubChem CID: 3222099
• Molecular Formula: C19H19ClN4O3S
• Molecular Weight: 418.91 g/mol
• Exact Mass: 418.09
• IUPAC Name: N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
• SMILES: CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc(Cl)c1
• InChI: InChI=1S/C19H19ClN4O3S/c1-19(2,3)21-17(25)16(15-8-5-9-27-15)24(13-7-4-6-12(20)10-13)18(26)14-11-28-23-22-14/h4-11,16H,1-3H3,(H,21,25)
• InChIKey: FIOZFSMSLZGGOY-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.91
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?

The IUPAC name of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (CID 3222099) is N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.

What is the SMILES notation for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?

The canonical SMILES for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc(Cl)c1.

What is the InChIKey of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?

The InChIKey is FIOZFSMSLZGGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-19(2,3)21-17(25)16(15-8-5-9-27-15)24(13-7-4-6-12(20)10-13)18(26)14-11-28-23-22-14/h4-11,16H,1-3H3,(H,21,25).

What are the key properties of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?

N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).