N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide

C22H27N5O2S — CID 91951172

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)n1
InChIInChI=1S/C22H27N5O2S/c1-22(2,3)17-14-30-21(24-17)25-18(28)10-13-27-16-9-5-4-8-15(16)23-19(20(27)29)26-11-6-7-12-26/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,24,25,28)
InChIKeyOEEHVYLJXDNKIU-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.78
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide (PubChem CID 91951172) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
PubChem CID91951172
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)n1
InChIInChI=1S/C22H27N5O2S/c1-22(2,3)17-14-30-21(24-17)25-18(28)10-13-27-16-9-5-4-8-15(16)23-19(20(27)29)26-11-6-7-12-26/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,24,25,28)
InChIKeyOEEHVYLJXDNKIU-UHFFFAOYSA-N
XLogP3.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951351
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
3-(benzotriazol-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 855784
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide (CID 91951172) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide is CC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCC3)nc3ccccc32)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide?
The InChIKey is OEEHVYLJXDNKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-22(2,3)17-14-30-21(24-17)25-18(28)10-13-27-16-9-5-4-8-15(16)23-19(20(27)29)26-11-6-7-12-26/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,24,25,28).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide has a molecular weight of 425.56 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide is sourced from PubChem (CID 91951172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).