N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

C23H20ClFN6O3S — CID 166482635

IUPACN-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1nc(NC(=O)c2nsc3ncccc23)c([C@@H](C)c2cc(F)ccc2Cl)n1CC(C)=O
InChIInChI=1S/C23H20ClFN6O3S/c1-11(32)10-31-18(12(2)15-9-13(25)6-7-16(15)24)19(28-20(31)22(34)26-3)29-21(33)17-14-5-4-8-27-23(14)35-30-17/h4-9,12H,10H2,1-3H3,(H,26,34)(H,29,33)/t12-/m0/s1
InChIKeyYSAFGEDYXZUGSB-LBPRGKRZSA-N
MW514.97 g/mol
LogP4.03
Rot. Bonds7

About N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide

N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 166482635) has the molecular formula C23H20ClFN6O3S and a molecular weight of 514.97 g/mol. Its IUPAC name is N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
PubChem CID166482635
Molecular FormulaC23H20ClFN6O3S
Molecular Weight514.97 g/mol
Exact Mass514.10
IUPAC NameN-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide
SMILESCNC(=O)c1nc(NC(=O)c2nsc3ncccc23)c([C@@H](C)c2cc(F)ccc2Cl)n1CC(C)=O
InChIInChI=1S/C23H20ClFN6O3S/c1-11(32)10-31-18(12(2)15-9-13(25)6-7-16(15)24)19(28-20(31)22(34)26-3)29-21(33)17-14-5-4-8-27-23(14)35-30-17/h4-9,12H,10H2,1-3H3,(H,26,34)(H,29,33)/t12-/m0/s1
InChIKeyYSAFGEDYXZUGSB-LBPRGKRZSA-N
XLogP4.03
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.97
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-[(1-methyltriazol-4-yl)methylcarbamoyl]-1-(2-oxopropyl)imidazol-4-yl]-1,2-benzothiazole-3-carboxamide
CID 166482095
N-[5-[(2-chloro-5-fluorophenyl)-(dimethylamino)methyl]-2-(methylcarbamoyl)-1-(2-oxoethyl)imidazol-4-yl]-1,2-benzothiazole-3-carboxamide
CID 171850957
5-[(1S)-1-(5-fluoro-2-methylphenyl)ethyl]-4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-methoxy-1-(2-oxopropyl)imidazole-2-carboxamide
CID 166482370
N-[(8S)-8-(2-chloro-5-fluorophenyl)-3-(methylcarbamoyl)-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-fluoro-1,2-benzothiazole-3-carboxamide
CID 166482078
N-[8-(2-chloro-5-fluorophenyl)-3-[(6-methyl-3-pyridinyl)methylcarbamoyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-1,2-benzothiazole-3-carboxamide
CID 166482338
N-[(8R)-8-(2-chloro-6-fluorophenyl)-3-(methylcarbamoyl)-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-1,2-benzothiazole-3-carboxamide
CID 166482895
N-[8-(2-chloro-5-fluorophenyl)-3-formyl-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-1,2-benzothiazole-3-carboxamide;N-methyl-1-(1,3-oxazol-2-yl)methanamine
CID 166482789
N-[(8R)-8-(2-chloro-5-fluorophenyl)-3-[(1,1-dioxothietan-3-yl)methylcarbamoyl]-8-methyl-6-oxo-5,7-dihydroimidazo[1,5-a]pyrazin-1-yl]-1,2-benzothiazole-3-carboxamide
CID 166482713
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
N-[(8S)-8-(2-chloro-5-fluorophenyl)-3-[(1,1-dioxothian-4-yl)methylcarbamoyl]-6-oxo-7,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-1,2-benzothiazole-3-carboxamide
CID 166482813
N-[6-[(2-chloro-5-fluorophenyl)-(methylamino)methyl]-5-formyl-2,3-dihydro-1,4-benzodioxin-7-yl]-1,2-benzothiazole-3-carboxamide
CID 174312470
N-[1-(2-chloro-5-fluorophenyl)-6-(methylcarbamoyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl]-7-fluoro-1,2-benzothiazole-3-carboxamide
CID 166482140

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide (CID 166482635) is N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is CNC(=O)c1nc(NC(=O)c2nsc3ncccc23)c([C@@H](C)c2cc(F)ccc2Cl)n1CC(C)=O.
What is the InChIKey of N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is YSAFGEDYXZUGSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H20ClFN6O3S/c1-11(32)10-31-18(12(2)15-9-13(25)6-7-16(15)24)19(28-20(31)22(34)26-3)29-21(33)17-14-5-4-8-27-23(14)35-30-17/h4-9,12H,10H2,1-3H3,(H,26,34)(H,29,33)/t12-/m0/s1.
What are the key properties of N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide?
N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 514.97 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-(2-chloro-5-fluorophenyl)ethyl]-2-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-[1,2]thiazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 166482635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).