N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C23H20N6O2S — CID 141468416

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cnsc1Nc1cnc2ccccc2n1
InChIInChI=1S/C23H20N6O2S/c30-21(26-16-7-5-6-15(12-16)23(31)29-10-3-4-11-29)17-13-25-32-22(17)28-20-14-24-18-8-1-2-9-19(18)27-20/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30)(H,27,28)
InChIKeyLIDQUYUNZAETNC-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.32
Rot. Bonds5

About N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 141468416) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID141468416
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cnsc1Nc1cnc2ccccc2n1
InChIInChI=1S/C23H20N6O2S/c30-21(26-16-7-5-6-15(12-16)23(31)29-10-3-4-11-29)17-13-25-32-22(17)28-20-14-24-18-8-1-2-9-19(18)27-20/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30)(H,27,28)
InChIKeyLIDQUYUNZAETNC-UHFFFAOYSA-N
XLogP4.32
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 141468435
3-methyl-N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284736
N-[3-(3-acetamidopyrrolidine-1-carbonyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284889
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86864818
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
CID 159245957
N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide
CID 87027796
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 141468416) is N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cnsc1Nc1cnc2ccccc2n1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is LIDQUYUNZAETNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c30-21(26-16-7-5-6-15(12-16)23(31)29-10-3-4-11-29)17-13-25-32-22(17)28-20-14-24-18-8-1-2-9-19(18)27-20/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30)(H,27,28).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 141468416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).