(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C19H25N5O2S — CID 46932297

IUPAC(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
InChIKeyVNGAUNCZCLFPCA-ZDUSSCGKSA-N
MW387.51 g/mol
LogP3.29
Rot. Bonds3

About (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 46932297) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID46932297
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1
InChIKeyVNGAUNCZCLFPCA-ZDUSSCGKSA-N
XLogP3.29
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 46932297) is (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is VNGAUNCZCLFPCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-11-15(12-7-8-21-14(10-12)19(2,3)4)27-17(22-11)23-18(26)24-9-5-6-13(24)16(20)25/h7-8,10,13H,5-6,9H2,1-4H3,(H2,20,25)(H,22,23,26)/t13-/m0/s1.
What are the key properties of (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 46932297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).