2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide

C19H27N3OS — CID 110628639

IUPAC2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
SMILESCc1csc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)n1
InChIInChI=1S/C19H27N3OS/c1-13(2)11-16(19-20-14(3)12-24-19)21-18(23)17(22(4)5)15-9-7-6-8-10-15/h6-10,12-13,16-17H,11H2,1-5H3,(H,21,23)
InChIKeyFSMDLDCPCVMEOM-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.96
Rot. Bonds7

About 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide

2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide (PubChem CID 110628639) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
PubChem CID110628639
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
SMILESCc1csc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)n1
InChIInChI=1S/C19H27N3OS/c1-13(2)11-16(19-20-14(3)12-24-19)21-18(23)17(22(4)5)15-9-7-6-8-10-15/h6-10,12-13,16-17H,11H2,1-5H3,(H,21,23)
InChIKeyFSMDLDCPCVMEOM-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
CID 110628692
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 154832744

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide (CID 110628639) is 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide is Cc1csc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide?
The InChIKey is FSMDLDCPCVMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-13(2)11-16(19-20-14(3)12-24-19)21-18(23)17(22(4)5)15-9-7-6-8-10-15/h6-10,12-13,16-17H,11H2,1-5H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide?
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide has a molecular weight of 345.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide is sourced from PubChem (CID 110628639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).