N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine

C18H17N4O2PS — CID 146437991

IUPACN-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCOc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
InChIInChI=1S/C18H17N4O2PS/c1-24-15-8-13-12(7-16(15)25(2,3)23)18(20-9-19-13)22-11-4-5-17-14(6-11)21-10-26-17/h4-10H,1-3H3,(H,19,20,22)
InChIKeyVTQKQDAQERAZHA-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.24
Rot. Bonds4

About N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine

N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 146437991) has the molecular formula C18H17N4O2PS and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID146437991
Molecular FormulaC18H17N4O2PS
Molecular Weight384.40 g/mol
Exact Mass384.08
IUPAC NameN-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCOc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
InChIInChI=1S/C18H17N4O2PS/c1-24-15-8-13-12(7-16(15)25(2,3)23)18(20-9-19-13)22-11-4-5-17-14(6-11)21-10-26-17/h4-10H,1-3H3,(H,19,20,22)
InChIKeyVTQKQDAQERAZHA-UHFFFAOYSA-N
XLogP4.24
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-bis(prop-2-enyl)phosphoryl-7-methoxyquinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 146438260
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
N-(6-dimethylphosphoryl-7-methoxycinnolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123436
4-(1,3-benzothiazol-5-ylamino)-N-(2-hydroxy-2-methylpropyl)-7-methoxyquinazoline-6-sulfonamide
CID 90282739
4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371830
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl dihydrogen phosphate;hydrochloride
CID 127255891
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 dihydrogen phosphate;hydrate;hydrochloride
CID 73389550
2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl hydrogen sulfate
CID 155558771
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 N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine (CID 146437991) is N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine is COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O.
What is the InChIKey of N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is VTQKQDAQERAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N4O2PS/c1-24-15-8-13-12(7-16(15)25(2,3)23)18(20-9-19-13)22-11-4-5-17-14(6-11)21-10-26-17/h4-10H,1-3H3,(H,19,20,22).
What are the key properties of N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 384.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 146437991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).