N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

C13H15N3OS2 — CID 121122799

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nc(C)c(CNC(=O)CSc2ccncc2)s1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-10(2)16-9)7-15-13(17)8-18-11-3-5-14-6-4-11/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyYKQADNTZBUGLMK-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.56
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 121122799) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID121122799
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nc(C)c(CNC(=O)CSc2ccncc2)s1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-10(2)16-9)7-15-13(17)8-18-11-3-5-14-6-4-11/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyYKQADNTZBUGLMK-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 110908962
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122775
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 121122799) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is Cc1nc(C)c(CNC(=O)CSc2ccncc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is YKQADNTZBUGLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9-12(19-10(2)16-9)7-15-13(17)8-18-11-3-5-14-6-4-11/h3-6H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 293.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 121122799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).