N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide

C25H27BrN4OS — CID 145451751

IUPACN-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
SMILESO=C(/N=C/C1CCC(CCN2CCc3sc(Br)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C25H27BrN4OS/c26-25-29-22-16-30(14-11-23(22)32-25)13-10-17-6-8-18(9-7-17)15-28-24(31)20-3-1-5-21-19(20)4-2-12-27-21/h1-5,12,15,17-18H,6-11,13-14,16H2/b28-15+
InChIKeyFCZQABXFBZUTNW-RWPZCVJISA-N
MW511.49 g/mol
LogP5.92
Rot. Bonds5

About N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide

N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide (PubChem CID 145451751) has the molecular formula C25H27BrN4OS and a molecular weight of 511.49 g/mol. Its IUPAC name is N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
PubChem CID145451751
Molecular FormulaC25H27BrN4OS
Molecular Weight511.49 g/mol
Exact Mass510.11
IUPAC NameN-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
SMILESO=C(/N=C/C1CCC(CCN2CCc3sc(Br)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C25H27BrN4OS/c26-25-29-22-16-30(14-11-23(22)32-25)13-10-17-6-8-18(9-7-17)15-28-24(31)20-3-1-5-21-19(20)4-2-12-27-21/h1-5,12,15,17-18H,6-11,13-14,16H2/b28-15+
InChIKeyFCZQABXFBZUTNW-RWPZCVJISA-N
XLogP5.92
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide 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

1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
CID 161286561
N-[4-[2-(2-methoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671303
2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157101321
N-[4-[2-[2-(4-methylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671002
N-[4-[2-[2-[2-(trifluoromethoxy)ethoxy]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671252
2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 161389833
N-[4-[2-[2-(3-fluoroprop-1-en-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671130
2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 162073530
2-[4-[2-[2-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 158049524
N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671048
N-[(1R,4R)-4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]-3-methylcyclohexyl]quinoline-5-carboxamide
CID 145451333
N-[[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]methylidene]-2-(2-methyltriazol-4-yl)acetamide
CID 155347274

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide?
The IUPAC name of N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide (CID 145451751) is N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide.
What is the SMILES notation for N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide?
The canonical SMILES for N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide is O=C(/N=C/C1CCC(CCN2CCc3sc(Br)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide?
The InChIKey is FCZQABXFBZUTNW-RWPZCVJISA-N. The full InChI is InChI=1S/C25H27BrN4OS/c26-25-29-22-16-30(14-11-23(22)32-25)13-10-17-6-8-18(9-7-17)15-28-24(31)20-3-1-5-21-19(20)4-2-12-27-21/h1-5,12,15,17-18H,6-11,13-14,16H2/b28-15+.
What are the key properties of N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide?
N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide has a molecular weight of 511.49 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide is sourced from PubChem (CID 145451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).