N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C15H13ClN4O2S2 — CID 20961814

IUPACN-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)nc2s1
InChIInChI=1S/C15H13ClN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyTZZYLMDAQZJOII-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.98
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961814) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961814
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC NameN-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)nc2s1
InChIInChI=1S/C15H13ClN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21)
InChIKeyTZZYLMDAQZJOII-UHFFFAOYSA-N
XLogP2.98
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7197229
N-(4-chlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135442547
N-(2-Fluorophenyl)-2-[({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961812
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
2-[(6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)thio]-N-(2,3-dichlorophenyl)acetamide
CID 135421166
N-(2-chlorophenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
CID 135693229
N-(2-Chlorophenyl)-2-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961837
N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7197230
2-[({2-Ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 8257101
N-(2-Chlorophenyl)-2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961877
N-(4-Fluorophenyl)-2-[({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961961
2-({[2-(2-Ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL]methyl}sulfanyl)-N-phenylacetamide
CID 20961974

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961814) is N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is Cc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)nc2s1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is TZZYLMDAQZJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c1-9-19-20-14(22)6-10(17-15(20)24-9)7-23-8-13(21)18-12-5-3-2-4-11(12)16/h2-6H,7-8H2,1H3,(H,18,21).
What are the key properties of N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 380.88 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).