7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid

C16H16N2O3S — CID 20876848

IUPAC7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid
SMILESCc1c(C(=O)O)oc2cc3sc(N4CCCCC4)nc3cc12
InChIInChI=1S/C16H16N2O3S/c1-9-10-7-11-13(8-12(10)21-14(9)15(19)20)22-16(17-11)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyZGBDJKYBZOIYRM-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.04
Rot. Bonds2

About 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid

7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid (PubChem CID 20876848) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid
PubChem CID20876848
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid
SMILESCc1c(C(=O)O)oc2cc3sc(N4CCCCC4)nc3cc12
InChIInChI=1S/C16H16N2O3S/c1-9-10-7-11-13(8-12(10)21-14(9)15(19)20)22-16(17-11)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H,19,20)
InChIKeyZGBDJKYBZOIYRM-UHFFFAOYSA-N
XLogP4.04
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
CID 6624859
2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid
CID 135386900
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
4,5-dimethyl-2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine
CID 82373367
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
CID 158881016
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
N-methyl-N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328840
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid?
The IUPAC name of 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid (CID 20876848) is 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid.
What is the SMILES notation for 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid?
The canonical SMILES for 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid is Cc1c(C(=O)O)oc2cc3sc(N4CCCCC4)nc3cc12.
What is the InChIKey of 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid?
The InChIKey is ZGBDJKYBZOIYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9-10-7-11-13(8-12(10)21-14(9)15(19)20)22-16(17-11)18-5-3-2-4-6-18/h7-8H,2-6H2,1H3,(H,19,20).
What are the key properties of 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid?
7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid is sourced from PubChem (CID 20876848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).