(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

C19H24N8O2S — CID 89170250

IUPAC(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESC=CN(/C=C\N)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1
InChIInChI=1S/C19H24N8O2S/c1-4-26(11-8-20)16-22-9-6-13(24-16)14-12(2)23-17(30-14)25-18(29)27-10-5-7-19(27,3)15(21)28/h4,6,8-9,11H,1,5,7,10,20H2,2-3H3,(H2,21,28)(H,23,25,29)/b11-8-/t19-/m0/s1
InChIKeySAEUKVDCIQANHQ-POGDKVGISA-N
MW428.52 g/mol
LogP2.16
Rot. Bonds6

About (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 89170250) has the molecular formula C19H24N8O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
PubChem CID89170250
Molecular FormulaC19H24N8O2S
Molecular Weight428.52 g/mol
Exact Mass428.17
IUPAC Name(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESC=CN(/C=C\N)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1
InChIInChI=1S/C19H24N8O2S/c1-4-26(11-8-20)16-22-9-6-13(24-16)14-12(2)23-17(30-14)25-18(29)27-10-5-7-19(27,3)15(21)28/h4,6,8-9,11H,1,5,7,10,20H2,2-3H3,(H2,21,28)(H,23,25,29)/b11-8-/t19-/m0/s1
InChIKeySAEUKVDCIQANHQ-POGDKVGISA-N
XLogP2.16
TPSA143.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (CID 89170250) is (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is C=CN(/C=C\N)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1.
What is the InChIKey of (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is SAEUKVDCIQANHQ-POGDKVGISA-N. The full InChI is InChI=1S/C19H24N8O2S/c1-4-26(11-8-20)16-22-9-6-13(24-16)14-12(2)23-17(30-14)25-18(29)27-10-5-7-19(27,3)15(21)28/h4,6,8-9,11H,1,5,7,10,20H2,2-3H3,(H2,21,28)(H,23,25,29)/b11-8-/t19-/m0/s1.
What are the key properties of (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 428.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 89170250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).