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

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

[3-[(3R)-3-fluoropyrrolidin-1-yl]-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (PubChem CID 69483713) has the molecular formula C16H22FN5O4S and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-[(3R)-3-fluoropyrrolidin-1-yl]-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-[(3R)-3-fluoropyrrolidin-1-yl]-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
PubChem CID	69483713
Molecular Formula	C16H22FN5O4S
Molecular Weight	399.45 g/mol
Exact Mass	399.14
IUPAC Name	[3-[(3R)-3-fluoropyrrolidin-1-yl]-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)N3CC[C@@H](F)C3)C(=O)O)sc2C1
InChI	InChI=1S/C16H22FN5O4S/c1-20-5-3-11-12(9-20)27-15(18-11)14(24)19-22(16(25)26)7-4-13(23)21-6-2-10(17)8-21/h10H,2-9H2,1H3,(H,19,24)(H,25,26)/t10-/m1/s1
InChIKey	JGYDQKINDKDQDY-SNVBAGLBSA-N
XLogP	0.72
TPSA	106.08 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-fluoropyrrolidin-1-yl]-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-[(3R)-3-fluoropyrrolidin-1-yl]-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (CID 69483713) is [3-[(3R)-3-fluoropyrrolidin-1-yl]-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-[(3R)-3-fluoropyrrolidin-1-yl]-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-[(3R)-3-fluoropyrrolidin-1-yl]-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)N3CC[C@@H](F)C3)C(=O)O)sc2C1.

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

The InChIKey is JGYDQKINDKDQDY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H22FN5O4S/c1-20-5-3-11-12(9-20)27-15(18-11)14(24)19-22(16(25)26)7-4-13(23)21-6-2-10(17)8-21/h10H,2-9H2,1H3,(H,19,24)(H,25,26)/t10-/m1/s1.

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

[3-[(3R)-3-fluoropyrrolidin-1-yl]-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 399.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3R)-3-fluoropyrrolidin-1-yl]-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 69483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).