2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide

C15H25N3OS2 — CID 50957321

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCC2CCCCN2C)cs1
InChIInChI=1S/C15H25N3OS2/c1-3-20-15-17-12(11-21-15)10-14(19)16-8-7-13-6-4-5-9-18(13)2/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyFBOZNLZJPVHHAC-UHFFFAOYSA-N
MW327.52 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide (PubChem CID 50957321) has the molecular formula C15H25N3OS2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide
PubChem CID50957321
Molecular FormulaC15H25N3OS2
Molecular Weight327.52 g/mol
Exact Mass327.14
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)NCCC2CCCCN2C)cs1
InChIInChI=1S/C15H25N3OS2/c1-3-20-15-17-12(11-21-15)10-14(19)16-8-7-13-6-4-5-9-18(13)2/h11,13H,3-10H2,1-2H3,(H,16,19)
InChIKeyFBOZNLZJPVHHAC-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)thio]acetamide
CID 2533027
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
N-(1-cyanobutyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 53574570
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
N-(1-cyanopropyl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 56823340
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56905883
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 72041219
1-acetyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-3-piperidinecarboxamide
CID 72838132
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72873495
N-(2-{2-[1-(cyclohexylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 53149558
N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149577

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide (CID 50957321) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide is CCSc1nc(CC(=O)NCCC2CCCCN2C)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide?
The InChIKey is FBOZNLZJPVHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS2/c1-3-20-15-17-12(11-21-15)10-14(19)16-8-7-13-6-4-5-9-18(13)2/h11,13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]acetamide has a molecular weight of 327.52 g/mol, XLogP of 2.79, 7 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-[2-(1-methylpiperidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 50957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).