(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide

C15H24N4O4S — CID 13312533

IUPAC(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C15H24N4O4S/c1-8(2)5-10(18-14(22)9-3-4-12(20)17-9)15(23)19-7-24-6-11(19)13(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11+/m0/s1
InChIKeyUXUVPCLULUSRSX-GARJFASQSA-N
MW356.45 g/mol
LogP-0.82
Rot. Bonds6

About (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 13312533) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID13312533
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C15H24N4O4S/c1-8(2)5-10(18-14(22)9-3-4-12(20)17-9)15(23)19-7-24-6-11(19)13(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11+/m0/s1
InChIKeyUXUVPCLULUSRSX-GARJFASQSA-N
XLogP-0.82
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (CID 13312533) is (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CSC[C@@H]1C(N)=O.
What is the InChIKey of (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UXUVPCLULUSRSX-GARJFASQSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-8(2)5-10(18-14(22)9-3-4-12(20)17-9)15(23)19-7-24-6-11(19)13(16)21/h8-11H,3-7H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11+/m0/s1.
What are the key properties of (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 13312533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).