3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide

C18H17N5O2S — CID 87944492

IUPAC3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]cnc32)s1
InChIInChI=1S/C18H17N5O2S/c1-9(2)25-13-5-3-10(17(19)24)7-12(13)22-18-23-16-14(26-18)6-4-11-15(16)21-8-20-11/h3-9H,1-2H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyVAJWKWYTXAGTAU-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.80
Rot. Bonds5

About 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide

3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide (PubChem CID 87944492) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide
PubChem CID87944492
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]cnc32)s1
InChIInChI=1S/C18H17N5O2S/c1-9(2)25-13-5-3-10(17(19)24)7-12(13)22-18-23-16-14(26-18)6-4-11-15(16)21-8-20-11/h3-9H,1-2H3,(H2,19,24)(H,20,21)(H,22,23)
InChIKeyVAJWKWYTXAGTAU-UHFFFAOYSA-N
XLogP3.80
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide (CID 87944492) is 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc2c(ccc3[nH]cnc32)s1.
What is the InChIKey of 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide?
The InChIKey is VAJWKWYTXAGTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-9(2)25-13-5-3-10(17(19)24)7-12(13)22-18-23-16-14(26-18)6-4-11-15(16)21-8-20-11/h3-9H,1-2H3,(H2,19,24)(H,20,21)(H,22,23).
What are the key properties of 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide?
3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6H-imidazo[4,5-e][1,3]benzothiazol-2-ylamino)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87944492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).