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

C17H25N5O4S — CID 69483158

IUPAC[3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)NC3CCCC3)C(=O)O)sc2C1
InChIInChI=1S/C17H25N5O4S/c1-21-8-6-12-13(10-21)27-16(19-12)15(24)20-22(17(25)26)9-7-14(23)18-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,23)(H,20,24)(H,25,26)
InChIKeyLLIGQGKOTPNVRG-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.20
Rot. Bonds5

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

[3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (PubChem CID 69483158) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is [3-(cyclopentylamino)-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-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
PubChem CID69483158
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name[3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)NC3CCCC3)C(=O)O)sc2C1
InChIInChI=1S/C17H25N5O4S/c1-21-8-6-12-13(10-21)27-16(19-12)15(24)20-22(17(25)26)9-7-14(23)18-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,23)(H,20,24)(H,25,26)
InChIKeyLLIGQGKOTPNVRG-UHFFFAOYSA-N
XLogP1.20
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]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

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylamino)-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-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (CID 69483158) is [3-(cyclopentylamino)-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-(cyclopentylamino)-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-(cyclopentylamino)-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)NC3CCCC3)C(=O)O)sc2C1.
What is the InChIKey of [3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
The InChIKey is LLIGQGKOTPNVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-21-8-6-12-13(10-21)27-16(19-12)15(24)20-22(17(25)26)9-7-14(23)18-11-4-2-3-5-11/h11H,2-10H2,1H3,(H,18,23)(H,20,24)(H,25,26).
What are the key properties of [3-(cyclopentylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
[3-(cyclopentylamino)-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 395.49 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylamino)-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 69483158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).