2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide

C11H13N3OS2 — CID 23830370

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3OS2/c1-8(17-11-13-6-7-16-11)10(15)14-9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,14,15)
InChIKeyMBOKQZBEGSJMET-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.24
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide (PubChem CID 23830370) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
PubChem CID23830370
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1ccncc1
InChIInChI=1S/C11H13N3OS2/c1-8(17-11-13-6-7-16-11)10(15)14-9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,14,15)
InChIKeyMBOKQZBEGSJMET-UHFFFAOYSA-N
XLogP2.24
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 17403739
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454380
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454338
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454339
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9454335
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23801598
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide (CID 23830370) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide is CC(SC1=NCCS1)C(=O)Nc1ccncc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide?
The InChIKey is MBOKQZBEGSJMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8(17-11-13-6-7-16-11)10(15)14-9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,14,15).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 23830370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).