1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one

C19H20ClN5OS — CID 108771499

IUPAC1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(Nc3nc4ccccc4nc3Cl)sc2C1
InChIInChI=1S/C19H20ClN5OS/c1-11(2)9-16(26)25-8-7-14-15(10-25)27-19(23-14)24-18-17(20)21-12-5-3-4-6-13(12)22-18/h3-6,11H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyPERBOULCPJDSPO-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.41
Rot. Bonds4

About 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one

1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one (PubChem CID 108771499) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
PubChem CID108771499
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC Name1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(Nc3nc4ccccc4nc3Cl)sc2C1
InChIInChI=1S/C19H20ClN5OS/c1-11(2)9-16(26)25-8-7-14-15(10-25)27-19(23-14)24-18-17(20)21-12-5-3-4-6-13(12)22-18/h3-6,11H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyPERBOULCPJDSPO-UHFFFAOYSA-N
XLogP4.41
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749742
2-(4-chlorophenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 108749832
2-benzoyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749780
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524
N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 108749730
2-methoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108725629
1-[2-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one
CID 108771461
2,5-difluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108725651
(E)-3-(4-methoxyphenyl)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylprop-2-enamide
CID 108749807
[3-[[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoyl]phenyl] acetate
CID 108749731
4-(4-tert-butylphenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108749839
4-(4-methoxyphenyl)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-oxobutanamide
CID 108725615

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one (CID 108771499) is 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCc2nc(Nc3nc4ccccc4nc3Cl)sc2C1.
What is the InChIKey of 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
The InChIKey is PERBOULCPJDSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-11(2)9-16(26)25-8-7-14-15(10-25)27-19(23-14)24-18-17(20)21-12-5-3-4-6-13(12)22-18/h3-6,11H,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one?
1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one has a molecular weight of 401.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloroquinoxalin-2-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methylbutan-1-one is sourced from PubChem (CID 108771499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).