3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C24H18N6O2S — CID 129048666

IUPAC3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C24H18N6O2S/c1-15-21(24(33-30-15)29-20-14-26-17-10-5-6-11-18(17)27-20)22(31)28-19-12-7-13-25-23(19)32-16-8-3-2-4-9-16/h2-14H,1H3,(H,27,29)(H,28,31)
InChIKeyDTLCWNFFAWLHMD-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.58
Rot. Bonds6

About 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 129048666) has the molecular formula C24H18N6O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID129048666
Molecular FormulaC24H18N6O2S
Molecular Weight454.52 g/mol
Exact Mass454.12
IUPAC Name3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C24H18N6O2S/c1-15-21(24(33-30-15)29-20-14-26-17-10-5-6-11-18(17)27-20)22(31)28-19-12-7-13-25-23(19)32-16-8-3-2-4-9-16/h2-14H,1H3,(H,27,29)(H,28,31)
InChIKeyDTLCWNFFAWLHMD-UHFFFAOYSA-N
XLogP5.58
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118278899
4-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoic acid
CID 118279033
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284929
methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
3-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 129059832
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284875
propan-2-yl 4-[[5-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 144895112
N-(2-ethylphenyl)-3-methyl-5-[(3-methyl-2-pyridinyl)amino]-1,2-thiazole-4-carboxamide
CID 90329749
5-chloro-N-(2-phenoxy-3-pyridinyl)thiophene-2-carboxamide
CID 43068513
N-[3-(3-acetamidopyrrolidine-1-carbonyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284889
N-[3-[[1-(2,2-difluoroethyl)azetidin-3-yl]sulfonylamino]phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118285006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 129048666) is 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccnc1Oc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is DTLCWNFFAWLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2S/c1-15-21(24(33-30-15)29-20-14-26-17-10-5-6-11-18(17)27-20)22(31)28-19-12-7-13-25-23(19)32-16-8-3-2-4-9-16/h2-14H,1H3,(H,27,29)(H,28,31).
What are the key properties of 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 129048666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).