N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

C22H24N4S2 — CID 154942255

IUPACN-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESCCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1
InChIInChI=1S/C22H24N4S2/c1-2-9-26-10-3-4-15(13-26)21-12-17-18(7-8-23-22(17)28-21)25-16-5-6-20-19(11-16)24-14-27-20/h5-8,11-12,14-15H,2-4,9-10,13H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeySOJFASVUZPXKBR-OAHLLOKOSA-N
MW408.60 g/mol
LogP6.24
Rot. Bonds5

About N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 154942255) has the molecular formula C22H24N4S2 and a molecular weight of 408.60 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
PubChem CID154942255
Molecular FormulaC22H24N4S2
Molecular Weight408.60 g/mol
Exact Mass408.14
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESCCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1
InChIInChI=1S/C22H24N4S2/c1-2-9-26-10-3-4-15(13-26)21-12-17-18(7-8-23-22(17)28-21)25-16-5-6-20-19(11-16)24-14-27-20/h5-8,11-12,14-15H,2-4,9-10,13H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeySOJFASVUZPXKBR-OAHLLOKOSA-N
XLogP6.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine 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 N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 154942255) is N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is CCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is SOJFASVUZPXKBR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4S2/c1-2-9-26-10-3-4-15(13-26)21-12-17-18(7-8-23-22(17)28-21)25-16-5-6-20-19(11-16)24-14-27-20/h5-8,11-12,14-15H,2-4,9-10,13H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 408.60 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 154942255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).