2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide

C9H14ClN3OS — CID 104878456

IUPAC2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H14ClN3OS/c1-3-11-9(14)6(2)12-5-8-13-4-7(10)15-8/h4,6,12H,3,5H2,1-2H3,(H,11,14)
InChIKeyJTIQRSYYFCCQGA-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.41
Rot. Bonds5

About 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 104878456) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
PubChem CID104878456
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H14ClN3OS/c1-3-11-9(14)6(2)12-5-8-13-4-7(10)15-8/h4,6,12H,3,5H2,1-2H3,(H,11,14)
InChIKeyJTIQRSYYFCCQGA-UHFFFAOYSA-N
XLogP1.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
CID 104878455
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 107124106
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide (CID 104878456) is 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ncc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is JTIQRSYYFCCQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-3-11-9(14)6(2)12-5-8-13-4-7(10)15-8/h4,6,12H,3,5H2,1-2H3,(H,11,14).
What are the key properties of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide?
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 247.75 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 104878456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).