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

C16H23N3OS — CID 63261225

IUPAC2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H23N3OS/c1-3-9-17-15(20)12(2)18-16-19-14(11-21-16)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZSVHODBDWNTLKO-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.20
Rot. Bonds6

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

2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (PubChem CID 63261225) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
PubChem CID63261225
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H23N3OS/c1-3-9-17-15(20)12(2)18-16-19-14(11-21-16)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZSVHODBDWNTLKO-UHFFFAOYSA-N
XLogP2.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 61477994
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N-propylpropanamide
CID 107154089
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide (CID 63261225) is 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1=NC(Cc2ccccc2)CS1.
What is the InChIKey of 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
The InChIKey is ZSVHODBDWNTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-9-17-15(20)12(2)18-16-19-14(11-21-16)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide?
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide has a molecular weight of 305.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 63261225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).