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

C17H25N3O2S — CID 134020281

IUPACN-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCCCC1N(C)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H25N3O2S/c1-12-6-3-4-7-14(12)19(2)16(22)10-13-11-23-17(18-13)20-9-5-8-15(20)21/h11-12,14H,3-10H2,1-2H3
InChIKeyAAOZAZJEKFSUSF-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.85
Rot. Bonds4

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

N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 134020281) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID134020281
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCCCC1N(C)C(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H25N3O2S/c1-12-6-3-4-7-14(12)19(2)16(22)10-13-11-23-17(18-13)20-9-5-8-15(20)21/h11-12,14H,3-10H2,1-2H3
InChIKeyAAOZAZJEKFSUSF-UHFFFAOYSA-N
XLogP2.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 134020281) is N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CC1CCCCC1N(C)C(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is AAOZAZJEKFSUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-6-3-4-7-14(12)19(2)16(22)10-13-11-23-17(18-13)20-9-5-8-15(20)21/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 134020281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).