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

C23H26N4S2 — CID 146791434

IUPACN-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CC
InChIInChI=1S/C23H26N4S2/c1-3-20-16(6-5-11-27(20)4-2)22-13-17-18(9-10-24-23(17)29-22)26-15-7-8-21-19(12-15)25-14-28-21/h7-10,12-14,16,20H,3-6,11H2,1-2H3,(H,24,26)
InChIKeyRVXAIGSAGATAMO-UHFFFAOYSA-N
MW422.62 g/mol
LogP6.63
Rot. Bonds5

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

N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 146791434) has the molecular formula C23H26N4S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID146791434
Molecular FormulaC23H26N4S2
Molecular Weight422.62 g/mol
Exact Mass422.16
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
SMILESCCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CC
InChIInChI=1S/C23H26N4S2/c1-3-20-16(6-5-11-27(20)4-2)22-13-17-18(9-10-24-23(17)29-22)26-15-7-8-21-19(12-15)25-14-28-21/h7-10,12-14,16,20H,3-6,11H2,1-2H3,(H,24,26)
InChIKeyRVXAIGSAGATAMO-UHFFFAOYSA-N
XLogP6.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (CID 146791434) is N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is CCC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CC.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is RVXAIGSAGATAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S2/c1-3-20-16(6-5-11-27(20)4-2)22-13-17-18(9-10-24-23(17)29-22)26-15-7-8-21-19(12-15)25-14-28-21/h7-10,12-14,16,20H,3-6,11H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?
N-(1,3-benzothiazol-5-yl)-2-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 422.62 g/mol, XLogP of 6.63, 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-(1,2-diethylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 146791434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).