3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C11H21N3OS — CID 106284964

IUPAC3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C11H21N3OS/c1-3-8(4-2)9-7-14-11(16-9)13-6-5-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyVUDSGXUINPQYDX-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.36
Rot. Bonds6

About 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 106284964) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID106284964
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCCC(CC)C1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C11H21N3OS/c1-3-8(4-2)9-7-14-11(16-9)13-6-5-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyVUDSGXUINPQYDX-UHFFFAOYSA-N
XLogP1.36
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 106284964) is 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CCC(CC)C1CN=C(NCCC(N)=O)S1.
What is the InChIKey of 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is VUDSGXUINPQYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-3-8(4-2)9-7-14-11(16-9)13-6-5-10(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 243.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 106284964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).