3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide

C19H19N5O2S — CID 87944169

IUPAC3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide
SMILESCc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1
InChIInChI=1S/C19H19N5O2S/c1-9(2)26-14-6-4-11(18(20)25)8-13(14)23-19-24-17-15(27-19)7-5-12-16(17)22-10(3)21-12/h4-9H,1-3H3,(H2,20,25)(H,21,22)(H,23,24)
InChIKeyKNKQYBPPEGVONC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.11
Rot. Bonds5

About 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide

3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide (PubChem CID 87944169) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide
PubChem CID87944169
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide
SMILESCc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1
InChIInChI=1S/C19H19N5O2S/c1-9(2)26-14-6-4-11(18(20)25)8-13(14)23-19-24-17-15(27-19)7-5-12-16(17)22-10(3)21-12/h4-9H,1-3H3,(H2,20,25)(H,21,22)(H,23,24)
InChIKeyKNKQYBPPEGVONC-UHFFFAOYSA-N
XLogP4.11
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide (CID 87944169) is 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide is Cc1nc2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)[nH]1.
What is the InChIKey of 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide?
The InChIKey is KNKQYBPPEGVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-9(2)26-14-6-4-11(18(20)25)8-13(14)23-19-24-17-15(27-19)7-5-12-16(17)22-10(3)21-12/h4-9H,1-3H3,(H2,20,25)(H,21,22)(H,23,24).
What are the key properties of 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide?
3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide has a molecular weight of 381.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-6H-imidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87944169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).