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

C13H25N3OS — CID 54958395

IUPAC2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-12(17)10(4)15-13-16-11(8-18-13)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyBQGULSLAIFIJBV-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.01
Rot. Bonds6

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

2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide (PubChem CID 54958395) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
PubChem CID54958395
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-12(17)10(4)15-13-16-11(8-18-13)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyBQGULSLAIFIJBV-UHFFFAOYSA-N
XLogP2.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide 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 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide (CID 54958395) is 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The InChIKey is BQGULSLAIFIJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-6-14-12(17)10(4)15-13-16-11(8-18-13)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide has a molecular weight of 271.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 54958395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).