N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H15N5O2S2 — CID 146025369

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1cc(=O)[nH]c(SCC(=O)Nc2cccc3nsnc23)n1
InChIInChI=1S/C15H15N5O2S2/c1-8(2)11-6-12(21)18-15(17-11)23-7-13(22)16-9-4-3-5-10-14(9)20-24-19-10/h3-6,8H,7H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyAEEGQDWTFPOGFI-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.63
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 146025369) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID146025369
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1cc(=O)[nH]c(SCC(=O)Nc2cccc3nsnc23)n1
InChIInChI=1S/C15H15N5O2S2/c1-8(2)11-6-12(21)18-15(17-11)23-7-13(22)16-9-4-3-5-10-14(9)20-24-19-10/h3-6,8H,7H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyAEEGQDWTFPOGFI-UHFFFAOYSA-N
XLogP2.63
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 136684700
N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135491368
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 136684677
N-(2,4-dichlorophenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684701
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684850
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
butyl 3-[[2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 136684737
N-(2,3-dichlorophenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686249
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 146025369) is N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(C)c1cc(=O)[nH]c(SCC(=O)Nc2cccc3nsnc23)n1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is AEEGQDWTFPOGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-8(2)11-6-12(21)18-15(17-11)23-7-13(22)16-9-4-3-5-10-14(9)20-24-19-10/h3-6,8H,7H2,1-2H3,(H,16,22)(H,17,18,21).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 146025369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).