3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide

C16H17N5OS2 — CID 71900220

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
SMILESCc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1
InChIInChI=1S/C16H17N5OS2/c1-9-7-13(18)20-16(19-9)23-6-5-14(22)21-15-11(8-17)10-3-2-4-12(10)24-15/h7H,2-6H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyFFGSZTKRTLOOAB-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide (PubChem CID 71900220) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
PubChem CID71900220
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
SMILESCc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1
InChIInChI=1S/C16H17N5OS2/c1-9-7-13(18)20-16(19-9)23-6-5-14(22)21-15-11(8-17)10-3-2-4-12(10)24-15/h7H,2-6H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyFFGSZTKRTLOOAB-UHFFFAOYSA-N
XLogP2.91
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3337956
methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 23833318
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methylphenyl)sulfanylpropanamide
CID 52772459
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18207765
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 5209208
2-[[4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridinyl]sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 1005163
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907459
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 46683992
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 18270821
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 3255202
N,N'-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 3131765

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide (CID 71900220) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide is Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CCC3)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
The InChIKey is FFGSZTKRTLOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-9-7-13(18)20-16(19-9)23-6-5-14(22)21-15-11(8-17)10-3-2-4-12(10)24-15/h7H,2-6H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide has a molecular weight of 359.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide is sourced from PubChem (CID 71900220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).