2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C11H18N2OS — CID 39071901

IUPAC2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-9(13-8)5-6-12-10(14)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyJUGSXLBUIXMVFC-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.16
Rot. Bonds3

About 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 39071901) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID39071901
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-9(13-8)5-6-12-10(14)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyJUGSXLBUIXMVFC-UHFFFAOYSA-N
XLogP2.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63241744
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110451544
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 39071901) is 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1csc(CCNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is JUGSXLBUIXMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-15-9(13-8)5-6-12-10(14)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 39071901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).