tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate

C19H19N3O5S — CID 23144098

About tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 23144098) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate
• PubChem CID: 23144098
• Molecular Formula: C19H19N3O5S
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.10
• IUPAC Name: tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate
• SMILES: COc1ccc(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccco2)nc1
• InChI: InChI=1S/C19H19N3O5S/c1-19(2,3)27-18(24)22-17-21-14(13-6-5-9-26-13)16(28-17)15(23)12-8-7-11(25-4)10-20-12/h5-10H,1-4H3,(H,21,22,24)
• InChIKey: YLDPVICDPCBZRX-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 103.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate (CID 23144098) is tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate is COc1ccc(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccco2)nc1.

What is the InChIKey of tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate?

The InChIKey is YLDPVICDPCBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-19(2,3)27-18(24)22-17-21-14(13-6-5-9-26-13)16(28-17)15(23)12-8-7-11(25-4)10-20-12/h5-10H,1-4H3,(H,21,22,24).

What are the key properties of tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate?

tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 401.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 23144098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).