ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine

C19H20N4OS — CID 144534778

IUPACethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCC.COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1C
InChIInChI=1S/C17H14N4OS.C2H6/c1-10-5-12-13(7-15(10)22-2)18-8-19-17(12)21-11-3-4-16-14(6-11)20-9-23-16;1-2/h3-9H,1-2H3,(H,18,19,21);1-2H3
InChIKeyLOVFYERZTCWDOP-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.33
Rot. Bonds3

About ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine

ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 144534778) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Nameethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID144534778
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Nameethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCC.COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1C
InChIInChI=1S/C17H14N4OS.C2H6/c1-10-5-12-13(7-15(10)22-2)18-8-19-17(12)21-11-3-4-16-14(6-11)20-9-23-16;1-2/h3-9H,1-2H3,(H,18,19,21);1-2H3
InChIKeyLOVFYERZTCWDOP-UHFFFAOYSA-N
XLogP5.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991
N-[6-bis(prop-2-enyl)phosphoryl-7-methoxyquinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 146438260
4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
4-(1,3-benzothiazol-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-methoxyquinazoline-6-sulfonamide
CID 90282739
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371830
N-(3-ethynyl-4-fluorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 58172595
N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 66937017
N-[6-tert-butylsulfonyl-7-(2-chloroethoxy)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 89410811
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl hydrogen sulfate
CID 155558771
N-[6-(4-methyl-1,3-thiazol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371837
N-[6-tert-butylsulfinyl-7-(2-methylsulfonylethoxy)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 129175550

Frequently Asked Questions

What is the IUPAC name of ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine (CID 144534778) is ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine is CC.COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1C.
What is the InChIKey of ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is LOVFYERZTCWDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS.C2H6/c1-10-5-12-13(7-15(10)22-2)18-8-19-17(12)21-11-3-4-16-14(6-11)20-9-23-16;1-2/h3-9H,1-2H3,(H,18,19,21);1-2H3.
What are the key properties of ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine?
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 352.46 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 144534778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).