(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C19H27N7O2S — CID 42644364

IUPAC(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCCCN(C)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1
InChIInChI=1S/C19H27N7O2S/c1-5-10-25(4)16-21-9-7-13(23-16)14-12(2)22-17(29-14)24-18(28)26-11-6-8-19(26,3)15(20)27/h7,9H,5-6,8,10-11H2,1-4H3,(H2,20,27)(H,22,24,28)/t19-/m0/s1
InChIKeyWEFZEXXFZYVCPA-IBGZPJMESA-N
MW417.54 g/mol
LogP2.63
Rot. Bonds6

About (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 42644364) has the molecular formula C19H27N7O2S and a molecular weight of 417.54 g/mol. Its IUPAC name is (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID42644364
Molecular FormulaC19H27N7O2S
Molecular Weight417.54 g/mol
Exact Mass417.19
IUPAC Name(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCCCN(C)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1
InChIInChI=1S/C19H27N7O2S/c1-5-10-25(4)16-21-9-7-13(23-16)14-12(2)22-17(29-14)24-18(28)26-11-6-8-19(26,3)15(20)27/h7,9H,5-6,8,10-11H2,1-4H3,(H2,20,27)(H,22,24,28)/t19-/m0/s1
InChIKeyWEFZEXXFZYVCPA-IBGZPJMESA-N
XLogP2.63
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 42644364) is (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is CCCN(C)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1.
What is the InChIKey of (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WEFZEXXFZYVCPA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N7O2S/c1-5-10-25(4)16-21-9-7-13(23-16)14-12(2)22-17(29-14)24-18(28)26-11-6-8-19(26,3)15(20)27/h7,9H,5-6,8,10-11H2,1-4H3,(H2,20,27)(H,22,24,28)/t19-/m0/s1.
What are the key properties of (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 417.54 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 42644364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).