(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid

C16H23N5O5S — CID 69483192

IUPAC(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid
SMILESCN1CCN(C(=O)CCN(NC(=O)c2nc3c(s2)COCC3)C(=O)O)CC1
InChIInChI=1S/C16H23N5O5S/c1-19-5-7-20(8-6-19)13(22)2-4-21(16(24)25)18-14(23)15-17-11-3-9-26-10-12(11)27-15/h2-10H2,1H3,(H,18,23)(H,24,25)
InChIKeyNSIQETVKUADMFS-UHFFFAOYSA-N
MW397.46 g/mol
LogP0.00
Rot. Bonds4

About (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid

(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid (PubChem CID 69483192) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid
PubChem CID69483192
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC Name(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid
SMILESCN1CCN(C(=O)CCN(NC(=O)c2nc3c(s2)COCC3)C(=O)O)CC1
InChIInChI=1S/C16H23N5O5S/c1-19-5-7-20(8-6-19)13(22)2-4-21(16(24)25)18-14(23)15-17-11-3-9-26-10-12(11)27-15/h2-10H2,1H3,(H,18,23)(H,24,25)
InChIKeyNSIQETVKUADMFS-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'}

Analyze (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid?
The IUPAC name of (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid (CID 69483192) is (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid.
What is the SMILES notation for (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid?
The canonical SMILES for (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid is CN1CCN(C(=O)CCN(NC(=O)c2nc3c(s2)COCC3)C(=O)O)CC1.
What is the InChIKey of (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid?
The InChIKey is NSIQETVKUADMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S/c1-19-5-7-20(8-6-19)13(22)2-4-21(16(24)25)18-14(23)15-17-11-3-9-26-10-12(11)27-15/h2-10H2,1H3,(H,18,23)(H,24,25).
What are the key properties of (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid?
(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-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 (6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69483192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).