N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine

C15H19N3S — CID 44623089

IUPACN-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
SMILESCC(C)(C)/N=C1\Sc2ccccc2C2=NCCCN21
InChIInChI=1S/C15H19N3S/c1-15(2,3)17-14-18-10-6-9-16-13(18)11-7-4-5-8-12(11)19-14/h4-5,7-8H,6,9-10H2,1-3H3/b17-14-
InChIKeyHBCXNFXNUDXJPN-VKAVYKQESA-N
MW273.40 g/mol
LogP3.40
Rot. Bonds

About N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine

N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine (PubChem CID 44623089) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.

Molecular Properties

Compound NameN-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
PubChem CID44623089
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
SMILESCC(C)(C)/N=C1\Sc2ccccc2C2=NCCCN21
InChIInChI=1S/C15H19N3S/c1-15(2,3)17-14-18-10-6-9-16-13(18)11-7-4-5-8-12(11)19-14/h4-5,7-8H,6,9-10H2,1-3H3/b17-14-
InChIKeyHBCXNFXNUDXJPN-VKAVYKQESA-N
XLogP3.40
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The IUPAC name of N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine (CID 44623089) is N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine.
What is the SMILES notation for N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The canonical SMILES for N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine is CC(C)(C)/N=C1\Sc2ccccc2C2=NCCCN21.
What is the InChIKey of N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
The InChIKey is HBCXNFXNUDXJPN-VKAVYKQESA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2,3)17-14-18-10-6-9-16-13(18)11-7-4-5-8-12(11)19-14/h4-5,7-8H,6,9-10H2,1-3H3/b17-14-.
What are the key properties of N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine?
N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine has a molecular weight of 273.40 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine is sourced from PubChem (CID 44623089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).