N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

C19H23N3O3S — CID 98596396

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 98596396) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
• PubChem CID: 98596396
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)o1
• InChI: InChI=1S/C19H23N3O3S/c1-11(23)20-9-15-4-5-17(25-15)16-10-26-19(21-16)22-18(24)8-14-7-12-2-3-13(14)6-12/h4-5,10,12-14H,2-3,6-9H2,1H3,(H,20,23)(H,21,22,24)/t12-,13-,14-/m0/s1
• InChIKey: XRRVSXOYMRCEMR-IHRRRGAJSA-N
• XLogP: 3.80
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 98596396) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?

The InChIKey is XRRVSXOYMRCEMR-IHRRRGAJSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11(23)20-9-15-4-5-17(25-15)16-10-26-19(21-16)22-18(24)8-14-7-12-2-3-13(14)6-12/h4-5,10,12-14H,2-3,6-9H2,1H3,(H,20,23)(H,21,22,24)/t12-,13-,14-/m0/s1.

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 98596396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).