3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride

C20H22ClN5O2S — CID 87944217

IUPAC3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride
SMILESCCn1cnc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c21.Cl
InChIInChI=1S/C20H21N5O2S.ClH/c1-4-25-10-22-13-6-8-16-17(18(13)25)24-20(28-16)23-14-9-12(19(21)26)5-7-15(14)27-11(2)3;/h5-11H,4H2,1-3H3,(H2,21,26)(H,23,24);1H
InChIKeyUWLCFRVVXCGKQH-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.72
Rot. Bonds6

About 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride

3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 87944217) has the molecular formula C20H22ClN5O2S and a molecular weight of 431.95 g/mol. Its IUPAC name is 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride
PubChem CID87944217
Molecular FormulaC20H22ClN5O2S
Molecular Weight431.95 g/mol
Exact Mass431.12
IUPAC Name3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride
SMILESCCn1cnc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c21.Cl
InChIInChI=1S/C20H21N5O2S.ClH/c1-4-25-10-22-13-6-8-16-17(18(13)25)24-20(28-16)23-14-9-12(19(21)26)5-7-15(14)27-11(2)3;/h5-11H,4H2,1-3H3,(H2,21,26)(H,23,24);1H
InChIKeyUWLCFRVVXCGKQH-UHFFFAOYSA-N
XLogP4.72
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride with MolForge

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Related Compounds

4-propan-2-yloxy-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide
CID 87945752
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
CID 170506052
3-[[4-(4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 123335380
3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 87944560
1-methyl-2-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 134445451
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
CID 71472276
3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 71472588
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147
4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
CID 82775308
3-[[4-[4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 159636031

Frequently Asked Questions

What is the IUPAC name of 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride (CID 87944217) is 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride is CCn1cnc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c21.Cl.
What is the InChIKey of 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is UWLCFRVVXCGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S.ClH/c1-4-25-10-22-13-6-8-16-17(18(13)25)24-20(28-16)23-14-9-12(19(21)26)5-7-15(14)27-11(2)3;/h5-11H,4H2,1-3H3,(H2,21,26)(H,23,24);1H.
What are the key properties of 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride?
3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 431.95 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 87944217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).