1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

C23H27N5O2S — CID 90570929

IUPAC1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cs2)n1
InChIInChI=1S/C23H27N5O2S/c1-14-5-6-20(9-15(14)2)27-12-18(11-21(27)29)22(30)24-8-7-19-13-31-23(25-19)28-17(4)10-16(3)26-28/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3,(H,24,30)
InChIKeyHECCTDPMEOTKFA-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.27
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90570929) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90570929
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cs2)n1
InChIInChI=1S/C23H27N5O2S/c1-14-5-6-20(9-15(14)2)27-12-18(11-21(27)29)22(30)24-8-7-19-13-31-23(25-19)28-17(4)10-16(3)26-28/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3,(H,24,30)
InChIKeyHECCTDPMEOTKFA-UHFFFAOYSA-N
XLogP3.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058989
1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 90572176
1-(4-methylsulfanylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43050125
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
(3S)-N-[3-(diethylamino)propyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393210
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90508466
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 848285
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 110624904
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 90570929) is 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cs2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HECCTDPMEOTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-14-5-6-20(9-15(14)2)27-12-18(11-21(27)29)22(30)24-8-7-19-13-31-23(25-19)28-17(4)10-16(3)26-28/h5-6,9-10,13,18H,7-8,11-12H2,1-4H3,(H,24,30).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90570929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).