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

C21H24N4O3S — CID 7434961

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

N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide (PubChem CID 7434961) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide
• PubChem CID: 7434961
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide
• SMILES: CC(C)(C)NC(=O)[C@H](c1ccco1)N(CCc1ccccc1)C(=O)c1csnn1
• InChI: InChI=1S/C21H24N4O3S/c1-21(2,3)22-19(26)18(17-10-7-13-28-17)25(20(27)16-14-29-24-23-16)12-11-15-8-5-4-6-9-15/h4-10,13-14,18H,11-12H2,1-3H3,(H,22,26)/t18-/m0/s1
• InChIKey: GKRZZSBXELZUNC-SFHVURJKSA-N
• XLogP: 3.47
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide (CID 7434961) is N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide is CC(C)(C)NC(=O)[C@H](c1ccco1)N(CCc1ccccc1)C(=O)c1csnn1.

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

The InChIKey is GKRZZSBXELZUNC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-21(2,3)22-19(26)18(17-10-7-13-28-17)25(20(27)16-14-29-24-23-16)12-11-15-8-5-4-6-9-15/h4-10,13-14,18H,11-12H2,1-3H3,(H,22,26)/t18-/m0/s1.

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

N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 7434961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).