ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C16H18N4O4S2 — CID 86582126

About ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 86582126) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 86582126
• Molecular Formula: C16H18N4O4S2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.08
• IUPAC Name: ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CN(C)CC2
• InChI: InChI=1S/C16H18N4O4S2/c1-3-24-16(23)19-12(21)9-5-7-25-14(9)18-13(22)15-17-10-4-6-20(2)8-11(10)26-15/h5,7H,3-4,6,8H2,1-2H3,(H,18,22)(H,19,21,23)
• InChIKey: VMICGIJJPLZNER-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 86582126) is ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CN(C)CC2.

What is the InChIKey of ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is VMICGIJJPLZNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-3-24-16(23)19-12(21)9-5-7-25-14(9)18-13(22)15-17-10-4-6-20(2)8-11(10)26-15/h5,7H,3-4,6,8H2,1-2H3,(H,18,22)(H,19,21,23).

What are the key properties of ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 394.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 86582126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).