2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide

C10H16N2OS — CID 110717476

IUPAC2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cncs1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9(13)12-5-4-8-6-11-7-14-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyCTTGCEHEVCAOSU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.85
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 110717476) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID110717476
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1cncs1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9(13)12-5-4-8-6-11-7-14-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyCTTGCEHEVCAOSU-UHFFFAOYSA-N
XLogP1.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-Butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
CID 71426525
2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 118373198
(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
CID 143454822
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-difluoroacetamide
CID 103515993
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 103709182
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103734221
2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 104214015
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 105911707
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide
CID 107168068
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide
CID 108095477
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113245122

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide (CID 110717476) is 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCc1cncs1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is CTTGCEHEVCAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)9(13)12-5-4-8-6-11-7-14-8/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.85, 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-(1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110717476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).