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

C18H17N5OS — CID 71680558

IUPACN-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
SMILESCOc1nc2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyQSZCDYHTHAAFAW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.87
Rot. Bonds4

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

N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine (PubChem CID 71680558) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
PubChem CID71680558
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
SMILESCOc1nc2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyQSZCDYHTHAAFAW-UHFFFAOYSA-N
XLogP3.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine (CID 71680558) is N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine is COc1nc2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine?
The InChIKey is QSZCDYHTHAAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine?
N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71680558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).