6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride

C19H26ClN3O3S — CID 56850662

IUPAC6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride
SMILESCl.O=C1C2CSCN2C(=O)N1CCCCNCC1CCc2ccccc2O1
InChIInChI=1S/C19H25N3O3S.ClH/c23-18-16-12-26-13-22(16)19(24)21(18)10-4-3-9-20-11-15-8-7-14-5-1-2-6-17(14)25-15;/h1-2,5-6,15-16,20H,3-4,7-13H2;1H
InChIKeyHMCSAXHALXARAI-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.51
Rot. Bonds7

About 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride

6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride (PubChem CID 56850662) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride.

Molecular Properties

Compound Name6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride
PubChem CID56850662
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride
SMILESCl.O=C1C2CSCN2C(=O)N1CCCCNCC1CCc2ccccc2O1
InChIInChI=1S/C19H25N3O3S.ClH/c23-18-16-12-26-13-22(16)19(24)21(18)10-4-3-9-20-11-15-8-7-14-5-1-2-6-17(14)25-15;/h1-2,5-6,15-16,20H,3-4,7-13H2;1H
InChIKeyHMCSAXHALXARAI-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride?
The IUPAC name of 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride (CID 56850662) is 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride.
What is the SMILES notation for 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride?
The canonical SMILES for 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride is Cl.O=C1C2CSCN2C(=O)N1CCCCNCC1CCc2ccccc2O1.
What is the InChIKey of 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride?
The InChIKey is HMCSAXHALXARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c23-18-16-12-26-13-22(16)19(24)21(18)10-4-3-9-20-11-15-8-7-14-5-1-2-6-17(14)25-15;/h1-2,5-6,15-16,20H,3-4,7-13H2;1H.
What are the key properties of 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride?
6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione;hydrochloride is sourced from PubChem (CID 56850662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).