[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C19H19N4OS+ — CID 135722476

IUPAC[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[C@H](c1nc2ccccc2s1)[NH+](C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4OS/c1-12(19-21-15-9-5-6-10-16(15)25-19)23(2)11-17-20-14-8-4-3-7-13(14)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,20,22,24)/p+1/t12-/m1/s1
InChIKeyJYEMZNNIWTYLEJ-GFCCVEGCSA-O
MW351.45 g/mol
LogP2.31
Rot. Bonds4

About [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135722476) has the molecular formula C19H19N4OS+ and a molecular weight of 351.45 g/mol. Its IUPAC name is [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135722476
Molecular FormulaC19H19N4OS+
Molecular Weight351.45 g/mol
Exact Mass351.13
IUPAC Name[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESC[C@H](c1nc2ccccc2s1)[NH+](C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4OS/c1-12(19-21-15-9-5-6-10-16(15)25-19)23(2)11-17-20-14-8-4-3-7-13(14)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,20,22,24)/p+1/t12-/m1/s1
InChIKeyJYEMZNNIWTYLEJ-GFCCVEGCSA-O
XLogP2.31
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135680104
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium
CID 8804996
(5-chlorothiophen-2-yl)methyl-methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135811804
methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808777
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9047830
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(4-cyanophenyl)methyl]-methylazanium
CID 9047220
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]azanium
CID 8805214
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135659961
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9047486
methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808862
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(7-ethyl-2-oxochromen-4-yl)methyl]-methylazanium
CID 9048075

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135722476) is [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is C[C@H](c1nc2ccccc2s1)[NH+](C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is JYEMZNNIWTYLEJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H18N4OS/c1-12(19-21-15-9-5-6-10-16(15)25-19)23(2)11-17-20-14-8-4-3-7-13(14)18(24)22-17/h3-10,12H,11H2,1-2H3,(H,20,22,24)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 351.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135722476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).