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

C16H23N5O5S — CID 69483037

IUPAC[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N3CCOCC3)C(=O)O)sc2C1
InChIInChI=1S/C16H23N5O5S/c1-19-4-2-11-12(10-19)27-15(17-11)14(23)18-21(16(24)25)5-3-13(22)20-6-8-26-9-7-20/h2-10H2,1H3,(H,18,23)(H,24,25)
InChIKeyDQQPYEXJQYOCAW-UHFFFAOYSA-N
MW397.46 g/mol
LogP0.00
Rot. Bonds4

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

[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid (PubChem CID 69483037) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid.

Molecular Properties

Compound Name[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid
PubChem CID69483037
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC Name[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N3CCOCC3)C(=O)O)sc2C1
InChIInChI=1S/C16H23N5O5S/c1-19-4-2-11-12(10-19)27-15(17-11)14(23)18-21(16(24)25)5-3-13(22)20-6-8-26-9-7-20/h2-10H2,1H3,(H,18,23)(H,24,25)
InChIKeyDQQPYEXJQYOCAW-UHFFFAOYSA-N
XLogP0.00
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The IUPAC name of [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid (CID 69483037) is [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid.
What is the SMILES notation for [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The canonical SMILES for [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid is CN1CCc2nc(C(=O)NN(CCC(=O)N3CCOCC3)C(=O)O)sc2C1.
What is the InChIKey of [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The InChIKey is DQQPYEXJQYOCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S/c1-19-4-2-11-12(10-19)27-15(17-11)14(23)18-21(16(24)25)5-3-13(22)20-6-8-26-9-7-20/h2-10H2,1H3,(H,18,23)(H,24,25).
What are the key properties of [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid?
[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid has a molecular weight of 397.46 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-(3-morpholin-4-yl-3-oxopropyl)carbamic acid is sourced from PubChem (CID 69483037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).