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

C18H25N7O2S — CID 59293740

IUPAC(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)c1nccc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)n1
InChIInChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
InChIKeyILYIIUXVBQOOOQ-ZDUSSCGKSA-N
MW403.51 g/mol
LogP2.24
Rot. Bonds6

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

(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 59293740) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID59293740
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC Name(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)c1nccc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)n1
InChIInChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1
InChIKeyILYIIUXVBQOOOQ-ZDUSSCGKSA-N
XLogP2.24
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-N-[5-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 134149428
(2S)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293648
(2S)-1-N-[5-(6-cyclopropylpyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293765
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 146697209
tert-butyl N-[4-[2-[[(2S)-2-carbamoylpyrrolidine-1-carbonyl]amino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]carbamate
CID 87536482
(2S)-1-N-[5-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]propan-2-yl]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293680
(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
(2S,4R)-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 42646248
2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
(2S)-1-N-[4-methyl-5-[3-methyl-1-oxo-3-(trifluoromethyl)-2H-isoindol-5-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 167432467
1-N-[4-methyl-5-[(4S)-1-oxo-4-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-6-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 175483185
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 52505416

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 59293740) is (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is CCN(CC)c1nccc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)n1.
What is the InChIKey of (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ILYIIUXVBQOOOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N7O2S/c1-4-24(5-2)16-20-9-8-12(22-16)14-11(3)21-17(28-14)23-18(27)25-10-6-7-13(25)15(19)26/h8-9,13H,4-7,10H2,1-3H3,(H2,19,26)(H,21,23,27)/t13-/m0/s1.
What are the key properties of (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).