2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide

C15H19N3OS2 — CID 50952020

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCCSc1nc(CC(=O)NCCCc2ccncc2)cs1
InChIInChI=1S/C15H19N3OS2/c1-2-20-15-18-13(11-21-15)10-14(19)17-7-3-4-12-5-8-16-9-6-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyDLOAWMTZFPMFAK-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.94
Rot. Bonds8

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide (PubChem CID 50952020) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
PubChem CID50952020
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCCSc1nc(CC(=O)NCCCc2ccncc2)cs1
InChIInChI=1S/C15H19N3OS2/c1-2-20-15-18-13(11-21-15)10-14(19)17-7-3-4-12-5-8-16-9-6-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19)
InChIKeyDLOAWMTZFPMFAK-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-phenylpropyl)acetamide
CID 16900551
N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899799
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900058
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 91792961
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 50964485
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-pentylacetamide
CID 16898725
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide (CID 50952020) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide is CCSc1nc(CC(=O)NCCCc2ccncc2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide?
The InChIKey is DLOAWMTZFPMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-2-20-15-18-13(11-21-15)10-14(19)17-7-3-4-12-5-8-16-9-6-12/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,17,19).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide has a molecular weight of 321.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide is sourced from PubChem (CID 50952020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).