N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

C16H20N2OS2 — CID 56789231

IUPACN-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)NCCSCc2ccccc2)cs1
InChIInChI=1S/C16H20N2OS2/c1-13-18-15(12-21-13)7-8-16(19)17-9-10-20-11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,19)
InChIKeyNMLAXVTXWDBDOP-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.43
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 56789231) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID56789231
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)NCCSCc2ccccc2)cs1
InChIInChI=1S/C16H20N2OS2/c1-13-18-15(12-21-13)7-8-16(19)17-9-10-20-11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,19)
InChIKeyNMLAXVTXWDBDOP-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31309321
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 8749612
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
3-benzylsulfanyl-N-propylpropanamide
CID 8797529
N-(4-hydroxypentyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 107299981
3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620277
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
N-(2-amino-2-oxoethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63904964
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 56789231) is N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is Cc1nc(CCC(=O)NCCSCc2ccccc2)cs1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is NMLAXVTXWDBDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-13-18-15(12-21-13)7-8-16(19)17-9-10-20-11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,17,19).
What are the key properties of N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 320.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 56789231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).