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

C14H27N3OS — CID 107154089

IUPAC2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C14H27N3OS/c1-6-7-15-12(18)10(2)17-13-16-9-11(19-13)8-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyOPZHUCHOSBAVFQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.40
Rot. Bonds5

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

2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide (PubChem CID 107154089) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
PubChem CID107154089
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C14H27N3OS/c1-6-7-15-12(18)10(2)17-13-16-9-11(19-13)8-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyOPZHUCHOSBAVFQ-UHFFFAOYSA-N
XLogP2.40
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide (CID 107154089) is 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
The InChIKey is OPZHUCHOSBAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-6-7-15-12(18)10(2)17-13-16-9-11(19-13)8-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide?
2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide has a molecular weight of 285.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 107154089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).