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

C16H22FN5O4S — CID 69483710

IUPAC[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)N3CC[C@@H](F)C3)sc2C1
InChIInChI=1S/C16H22FN5O4S/c1-21-4-3-10-12(8-21)27-14(20-10)13(23)19-11(6-18-16(25)26)15(24)22-5-2-9(17)7-22/h9,11,18H,2-8H2,1H3,(H,19,23)(H,25,26)/t9-,11?/m1/s1
InChIKeyYNJJUDSRZKNRQH-BFHBGLAWSA-N
MW399.45 g/mol
LogP0.07
Rot. Bonds5

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

[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69483710) has the molecular formula C16H22FN5O4S and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
PubChem CID69483710
Molecular FormulaC16H22FN5O4S
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)N3CC[C@@H](F)C3)sc2C1
InChIInChI=1S/C16H22FN5O4S/c1-21-4-3-10-12(8-21)27-14(20-10)13(23)19-11(6-18-16(25)26)15(24)22-5-2-9(17)7-22/h9,11,18H,2-8H2,1H3,(H,19,23)(H,25,26)/t9-,11?/m1/s1
InChIKeyYNJJUDSRZKNRQH-BFHBGLAWSA-N
XLogP0.07
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 18442855
CID 18442855
CID 18442875
CID 18442875
CID 58893830
CID 58893830
CID 67188729
CID 67188729
CID 67190597
CID 67190597
CID 68451975
CID 68451975
CID 68452193
CID 68452193
CID 69252539
CID 69252539
CID 69483713
CID 69483713
CID 72455620
CID 72455620
CID 155092599
CID 155092599
CID 158704843
CID 158704843

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (CID 69483710) is [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is CN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)N3CC[C@@H](F)C3)sc2C1.
What is the InChIKey of [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is YNJJUDSRZKNRQH-BFHBGLAWSA-N. The full InChI is InChI=1S/C16H22FN5O4S/c1-21-4-3-10-12(8-21)27-14(20-10)13(23)19-11(6-18-16(25)26)15(24)22-5-2-9(17)7-22/h9,11,18H,2-8H2,1H3,(H,19,23)(H,25,26)/t9-,11?/m1/s1.
What are the key properties of [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid has a molecular weight of 399.45 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69483710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).