(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C20H18N6OS — CID 29105738

IUPAC(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESNc1nc2cc(C(=O)N3CCN(c4ncnc5ccccc45)CC3)ccc2s1
InChIInChI=1S/C20H18N6OS/c21-20-24-16-11-13(5-6-17(16)28-20)19(27)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)22-12-23-18/h1-6,11-12H,7-10H2,(H2,21,24)
InChIKeyAQTHSWAJGBAZCS-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.78
Rot. Bonds2

About (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 29105738) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID29105738
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESNc1nc2cc(C(=O)N3CCN(c4ncnc5ccccc45)CC3)ccc2s1
InChIInChI=1S/C20H18N6OS/c21-20-24-16-11-13(5-6-17(16)28-20)19(27)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)22-12-23-18/h1-6,11-12H,7-10H2,(H2,21,24)
InChIKeyAQTHSWAJGBAZCS-UHFFFAOYSA-N
XLogP2.78
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
1-[4-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone;2,2,2-trifluoroacetic acid
CID 154887929
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 131919946
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 70785001
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 155498804
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 29105738) is (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is Nc1nc2cc(C(=O)N3CCN(c4ncnc5ccccc45)CC3)ccc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is AQTHSWAJGBAZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c21-20-24-16-11-13(5-6-17(16)28-20)19(27)26-9-7-25(8-10-26)18-14-3-1-2-4-15(14)22-12-23-18/h1-6,11-12H,7-10H2,(H2,21,24).
What are the key properties of (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 390.47 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 29105738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).