N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C20H22N6O2S — CID 85018583

IUPACN-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C20H22N6O2S/c1-14(15-5-7-17(8-6-15)26-13-21-12-22-26)24(2)19(28)10-16-11-29-20(23-16)25-9-3-4-18(25)27/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyWTZYMYMQCDSTMW-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 85018583) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID85018583
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C20H22N6O2S/c1-14(15-5-7-17(8-6-15)26-13-21-12-22-26)24(2)19(28)10-16-11-29-20(23-16)25-9-3-4-18(25)27/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyWTZYMYMQCDSTMW-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17407662
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471079
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 71902108
2-cyclopentyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808650
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057
1-(azetidin-1-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 56812053
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
2-(2,5-dimethoxyphenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808726
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200316
N-methyl-2-thiophen-2-ylsulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 30898329
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55742587

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 85018583) is N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is WTZYMYMQCDSTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-14(15-5-7-17(8-6-15)26-13-21-12-22-26)24(2)19(28)10-16-11-29-20(23-16)25-9-3-4-18(25)27/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 85018583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).