5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole

C21H21N3S — CID 134331916

IUPAC5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
SMILESCC(C)c1ccc2nc(CC(C)c3ccc4scnc4c3)ncc2c1
InChIInChI=1S/C21H21N3S/c1-13(2)15-4-6-18-17(9-15)11-22-21(24-18)8-14(3)16-5-7-20-19(10-16)23-12-25-20/h4-7,9-14H,8H2,1-3H3
InChIKeyKGYQEZHMJQOBQH-UHFFFAOYSA-N
MW347.49 g/mol
LogP5.71
Rot. Bonds4

About 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole

5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole (PubChem CID 134331916) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
PubChem CID134331916
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
SMILESCC(C)c1ccc2nc(CC(C)c3ccc4scnc4c3)ncc2c1
InChIInChI=1S/C21H21N3S/c1-13(2)15-4-6-18-17(9-15)11-22-21(24-18)8-14(3)16-5-7-20-19(10-16)23-12-25-20/h4-7,9-14H,8H2,1-3H3
InChIKeyKGYQEZHMJQOBQH-UHFFFAOYSA-N
XLogP5.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-N5-(3-(6-(methylamino)pyrimidin-4-yl)pyridin-2-yl)-N1-(2-methylbenzo[d]thiazol-5-yl)isoquinoline-1,5-diamine
CID 24863500
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
(2-Methyl-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11346863
5-phenyl-N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 68204898
N-phenyl-6-(5-thiazolyl)-4-quinazolinamine
CID 118736889
6-{(4-Benzothiazol-2-yl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-quinoline
CID 647101
N-[4-(2,5-dimethylpyrimidin-4-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrobromide
CID 57392134
N-ethyl-6-(5-thiazolyl)-4-quinazolinamine
CID 118736867
N-isopropyl-6-(thiazol-5-yl)quinazolin-4-amine
CID 118736868
N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736869
N-(4-fluorophenyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736894

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole?
The IUPAC name of 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole (CID 134331916) is 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole is CC(C)c1ccc2nc(CC(C)c3ccc4scnc4c3)ncc2c1.
What is the InChIKey of 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole?
The InChIKey is KGYQEZHMJQOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-13(2)15-4-6-18-17(9-15)11-22-21(24-18)8-14(3)16-5-7-20-19(10-16)23-12-25-20/h4-7,9-14H,8H2,1-3H3.
What are the key properties of 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole?
5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole has a molecular weight of 347.49 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 134331916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).