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

C17H14N4O2S2 — CID 51168983

IUPACN-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1csc2nc(CSCC(=O)Nc3cccc(C#N)c3)cc(=O)n12
InChIInChI=1S/C17H14N4O2S2/c1-11-8-25-17-20-14(6-16(23)21(11)17)9-24-10-15(22)19-13-4-2-3-12(5-13)7-18/h2-6,8H,9-10H2,1H3,(H,19,22)
InChIKeyFOVCZWOHGDFEBL-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.81
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 51168983) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID51168983
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1csc2nc(CSCC(=O)Nc3cccc(C#N)c3)cc(=O)n12
InChIInChI=1S/C17H14N4O2S2/c1-11-8-25-17-20-14(6-16(23)21(11)17)9-24-10-15(22)19-13-4-2-3-12(5-13)7-18/h2-6,8H,9-10H2,1H3,(H,19,22)
InChIKeyFOVCZWOHGDFEBL-UHFFFAOYSA-N
XLogP2.81
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 46346316
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propylacetamide
CID 47103862
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 51168973
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38628754
N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
N-(3-cyanophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 110007041
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate
CID 42901072
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 51171261
N-(3-cyanophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507447
methyl 3-[[2-(3-cyanoanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 40679915

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 51168983) is N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is Cc1csc2nc(CSCC(=O)Nc3cccc(C#N)c3)cc(=O)n12.
What is the InChIKey of N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is FOVCZWOHGDFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-11-8-25-17-20-14(6-16(23)21(11)17)9-24-10-15(22)19-13-4-2-3-12(5-13)7-18/h2-6,8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 51168983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).