2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide

C20H29N3OS — CID 110628692

IUPAC2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
SMILESCc1nc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)sc1C
InChIInChI=1S/C20H29N3OS/c1-13(2)12-17(20-21-14(3)15(4)25-20)22-19(24)18(23(5)6)16-10-8-7-9-11-16/h7-11,13,17-18H,12H2,1-6H3,(H,22,24)
InChIKeyCHZBIYMWYPZBEC-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.27
Rot. Bonds7

About 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide

2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide (PubChem CID 110628692) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
PubChem CID110628692
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
SMILESCc1nc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)sc1C
InChIInChI=1S/C20H29N3OS/c1-13(2)12-17(20-21-14(3)15(4)25-20)22-19(24)18(23(5)6)16-10-8-7-9-11-16/h7-11,13,17-18H,12H2,1-6H3,(H,22,24)
InChIKeyCHZBIYMWYPZBEC-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide
CID 110308162
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110628698
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110308157
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
1-benzyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-5-oxopyrrolidine-2-carboxamide
CID 110628701
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628703
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide (CID 110628692) is 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide is Cc1nc(C(CC(C)C)NC(=O)C(c2ccccc2)N(C)C)sc1C.
What is the InChIKey of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide?
The InChIKey is CHZBIYMWYPZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-13(2)12-17(20-21-14(3)15(4)25-20)22-19(24)18(23(5)6)16-10-8-7-9-11-16/h7-11,13,17-18H,12H2,1-6H3,(H,22,24).
What are the key properties of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide?
2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide has a molecular weight of 359.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide is sourced from PubChem (CID 110628692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).