2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide

C10H19N3OS — CID 61467793

IUPAC2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C10H19N3OS/c1-5-8-6-15-10(12-8)11-7(2)9(14)13(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyBAVQFKALEOVJGZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.93
Rot. Bonds3

About 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide

2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 61467793) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID61467793
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide
SMILESCCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C10H19N3OS/c1-5-8-6-15-10(12-8)11-7(2)9(14)13(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyBAVQFKALEOVJGZ-UHFFFAOYSA-N
XLogP0.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, 2-(diethylamino)-N-(4,5-dihydro-2-thiazolyl)-
CID 3056658
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 16294664
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 47265757
4-thiazolecarboxamide, 2-amino-N-ethyl-4,5-dihydro-
CID 91701735
(2S)-3-(dimethylamino)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440314
(2R)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440422
(2S)-N-methyl-2-[methyl-(2-oxo-5H-1,3-thiazol-4-yl)amino]propanamide
CID 89440619
2-Pentylimino-1,3-thiazolidine-4-carboxamide
CID 136333531
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-propan-2-ylacetamide
CID 12326696
(2R)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 30789397
(2S)-2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 30789399
2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43008937

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide (CID 61467793) is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide is CCC1CSC(NC(C)C(=O)N(C)C)=N1.
What is the InChIKey of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is BAVQFKALEOVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-8-6-15-10(12-8)11-7(2)9(14)13(3)4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide?
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 229.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61467793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).