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

C11H21N3OS — CID 61477994

IUPAC2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyXRKOOWXZTZVYDQ-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.37
Rot. Bonds5

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

2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 61477994) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID61477994
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyXRKOOWXZTZVYDQ-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 61477994) is 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1=NC(CC)CS1.
What is the InChIKey of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is XRKOOWXZTZVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-6-12-10(15)8(3)13-11-14-9(5-2)7-16-11/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 243.38 g/mol, XLogP of 1.37, 5 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-propylpropanamide is sourced from PubChem (CID 61477994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).