2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide

C15H20N4O2S2 — CID 119461876

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)NCC1CCCNC1
InChIInChI=1S/C15H20N4O2S2/c20-13(17-8-11-2-1-3-16-7-11)10-22-9-12-6-14(21)19-4-5-23-15(19)18-12/h4-6,11,16H,1-3,7-10H2,(H,17,20)
InChIKeyNOVPRTSKCKQPEP-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.11
Rot. Bonds6

About 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119461876) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119461876
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)NCC1CCCNC1
InChIInChI=1S/C15H20N4O2S2/c20-13(17-8-11-2-1-3-16-7-11)10-22-9-12-6-14(21)19-4-5-23-15(19)18-12/h4-6,11,16H,1-3,7-10H2,(H,17,20)
InChIKeyNOVPRTSKCKQPEP-UHFFFAOYSA-N
XLogP1.11
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide;hydrochloride
CID 119620148
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
N-(1-adamantyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51168939
N-[(4-chlorophenyl)methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51168940
N,N-dicyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 8012145
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 56518179
N-(4-acetamidophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 46635043
7-[[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119411015
1-cyclohexylethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetate
CID 91641820
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
N-(4-anilinophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 52561818
N-methyl-N-(2-methylcyclohexyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 134020410

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide (CID 119461876) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide is O=C(CSCc1cc(=O)n2ccsc2n1)NCC1CCCNC1.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is NOVPRTSKCKQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c20-13(17-8-11-2-1-3-16-7-11)10-22-9-12-6-14(21)19-4-5-23-15(19)18-12/h4-6,11,16H,1-3,7-10H2,(H,17,20).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 352.49 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119461876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).