[3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid

C16H25N5O4S — CID 69481860

About [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid

[3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (PubChem CID 69481860) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid.

Molecular Properties

• Compound Name: [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
• PubChem CID: 69481860
• Molecular Formula: C16H25N5O4S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.16
• IUPAC Name: [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
• SMILES: CN1CCc2nc(C(=O)NN(CCC(=O)NC(C)(C)C)C(=O)O)sc2C1
• InChI: InChI=1S/C16H25N5O4S/c1-16(2,3)18-12(22)6-8-21(15(24)25)19-13(23)14-17-10-5-7-20(4)9-11(10)26-14/h5-9H2,1-4H3,(H,18,22)(H,19,23)(H,24,25)
• InChIKey: MQUCYESOQALIMP-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 114.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?

The IUPAC name of [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (CID 69481860) is [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid.

What is the SMILES notation for [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?

The canonical SMILES for [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid is CN1CCc2nc(C(=O)NN(CCC(=O)NC(C)(C)C)C(=O)O)sc2C1.

What is the InChIKey of [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?

The InChIKey is MQUCYESOQALIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-16(2,3)18-12(22)6-8-21(15(24)25)19-13(23)14-17-10-5-7-20(4)9-11(10)26-14/h5-9H2,1-4H3,(H,18,22)(H,19,23)(H,24,25).

What are the key properties of [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?

[3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid has a molecular weight of 383.47 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(tert-butylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid is sourced from PubChem (CID 69481860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).