4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

C20H19N3O2S2 — CID 90606233

IUPAC4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCOc1nc2ccc3nc(NC(=O)c4ccc(C(C)(C)C)cc4)sc3c2s1
InChIInChI=1S/C20H19N3O2S2/c1-20(2,3)12-7-5-11(6-8-12)17(24)23-18-21-13-9-10-14-16(15(13)26-18)27-19(22-14)25-4/h5-10H,1-4H3,(H,21,23,24)
InChIKeyWISMNDNUORNWPF-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.46
Rot. Bonds3

About 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (PubChem CID 90606233) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
PubChem CID90606233
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCOc1nc2ccc3nc(NC(=O)c4ccc(C(C)(C)C)cc4)sc3c2s1
InChIInChI=1S/C20H19N3O2S2/c1-20(2,3)12-7-5-11(6-8-12)17(24)23-18-21-13-9-10-14-16(15(13)26-18)27-19(22-14)25-4/h5-10H,1-4H3,(H,21,23,24)
InChIKeyWISMNDNUORNWPF-UHFFFAOYSA-N
XLogP5.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90606185
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (CID 90606233) is 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is COc1nc2ccc3nc(NC(=O)c4ccc(C(C)(C)C)cc4)sc3c2s1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The InChIKey is WISMNDNUORNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-20(2,3)12-7-5-11(6-8-12)17(24)23-18-21-13-9-10-14-16(15(13)26-18)27-19(22-14)25-4/h5-10H,1-4H3,(H,21,23,24).
What are the key properties of 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide has a molecular weight of 397.53 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is sourced from PubChem (CID 90606233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).