3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide

C12H15N3OS2 — CID 23945444

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCSC2=NCCS2)c1
InChIInChI=1S/C12H15N3OS2/c1-9-2-4-13-10(8-9)15-11(16)3-6-17-12-14-5-7-18-12/h2,4,8H,3,5-7H2,1H3,(H,13,15,16)
InChIKeyFRNWYSHSBHAILX-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.55
Rot. Bonds4

About 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide

3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 23945444) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID23945444
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCSC2=NCCS2)c1
InChIInChI=1S/C12H15N3OS2/c1-9-2-4-13-10(8-9)15-11(16)3-6-17-12-14-5-7-18-12/h2,4,8H,3,5-7H2,1H3,(H,13,15,16)
InChIKeyFRNWYSHSBHAILX-UHFFFAOYSA-N
XLogP2.55
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide (CID 23945444) is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCSC2=NCCS2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is FRNWYSHSBHAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-9-2-4-13-10(8-9)15-11(16)3-6-17-12-14-5-7-18-12/h2,4,8H,3,5-7H2,1H3,(H,13,15,16).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 281.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23945444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).