3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide

C20H21N5OS — CID 86665499

IUPAC3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C20H21N5OS/c1-11(2)8-12-4-5-13(19(21)26)9-14(12)23-20-24-18-16(27-20)7-6-15-17(18)22-10-25(15)3/h4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24)
InChIKeyOPWPLPQKXDOAOU-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.22
Rot. Bonds5

About 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide

3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide (PubChem CID 86665499) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
PubChem CID86665499
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C20H21N5OS/c1-11(2)8-12-4-5-13(19(21)26)9-14(12)23-20-24-18-16(27-20)7-6-15-17(18)22-10-25(15)3/h4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24)
InChIKeyOPWPLPQKXDOAOU-UHFFFAOYSA-N
XLogP4.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
CID 87941730
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
3-[(8-ethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;hydrochloride
CID 87944217
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-methylbenzamide
CID 170506052
3-methylbenzimidazole-5-carboxamide
CID 21105052
1-methyl-2-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 134445451
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
CID 82785480
4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
CID 82775308
N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 161242548

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide (CID 86665499) is 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide?
The InChIKey is OPWPLPQKXDOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-11(2)8-12-4-5-13(19(21)26)9-14(12)23-20-24-18-16(27-20)7-6-15-17(18)22-10-25(15)3/h4-7,9-11H,8H2,1-3H3,(H2,21,26)(H,23,24).
What are the key properties of 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide?
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 86665499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).