3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

C12H20N2OS2 — CID 124852149

IUPAC3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCCSCCC(=O)NC[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C12H20N2OS2/c1-4-16-6-5-11(15)13-7-9(2)12-14-10(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyUHRDAOIROZRLQS-SECBINFHSA-N
MW272.44 g/mol
LogP2.81
Rot. Bonds7

About 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide

3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 124852149) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID124852149
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCCSCCC(=O)NC[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C12H20N2OS2/c1-4-16-6-5-11(15)13-7-9(2)12-14-10(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyUHRDAOIROZRLQS-SECBINFHSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.81
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

2-ethyl-4-methyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-oxazole-5-carboxamide
CID 164636733
2-[methyl(piperidin-4-yl)amino]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125160379
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 125176743
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125167255
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxopyridine-4-carboxamide
CID 118772769
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75504510
1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
CID 126444931
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide (CID 124852149) is 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is CCSCCC(=O)NC[C@@H](C)c1nc(C)cs1.
What is the InChIKey of 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is UHRDAOIROZRLQS-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-4-16-6-5-11(15)13-7-9(2)12-14-10(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide?
3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 272.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 124852149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).