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

C9H17N3OS — CID 61467635

IUPAC2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCCC1CSC(NC(C)C(=O)NC)=N1
InChIInChI=1S/C9H17N3OS/c1-4-7-5-14-9(12-7)11-6(2)8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPXLUFCSRLVLHIV-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.59
Rot. Bonds3

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

2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide (PubChem CID 61467635) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
PubChem CID61467635
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCCC1CSC(NC(C)C(=O)NC)=N1
InChIInChI=1S/C9H17N3OS/c1-4-7-5-14-9(12-7)11-6(2)8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyPXLUFCSRLVLHIV-UHFFFAOYSA-N
XLogP0.59
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
[2-(methylamino)-2-oxoethyl] N,N'-di(propan-2-yl)carbamimidothioate
CID 59188806
(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
N-butyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 12326697
(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-methylpropanamide?
The IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide (CID 61467635) is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide is CCC1CSC(NC(C)C(=O)NC)=N1.
What is the InChIKey of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The InChIKey is PXLUFCSRLVLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-7-5-14-9(12-7)11-6(2)8(13)10-3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylpropanamide has a molecular weight of 215.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 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-methylpropanamide is sourced from PubChem (CID 61467635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).