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

C11H21N3OS — CID 107153990

IUPAC3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)(C)CC1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C11H21N3OS/c1-11(2,3)6-8-7-14-10(16-8)13-5-4-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyORNHVHPERMFVJI-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.36
Rot. Bonds4

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

3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 107153990) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID107153990
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCC(C)(C)CC1CN=C(NCCC(N)=O)S1
InChIInChI=1S/C11H21N3OS/c1-11(2,3)6-8-7-14-10(16-8)13-5-4-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyORNHVHPERMFVJI-UHFFFAOYSA-N
XLogP1.36
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 107153990) is 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CC(C)(C)CC1CN=C(NCCC(N)=O)S1.
What is the InChIKey of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is ORNHVHPERMFVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-11(2,3)6-8-7-14-10(16-8)13-5-4-9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 243.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 107153990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).