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

C15H26N4O3S — CID 90675112

IUPAC(4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C15H26N4O3S/c1-9(2)6-11(18-14(21)10-4-3-5-17-10)15(22)19-8-23-7-12(19)13(16)20/h9-12,17H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t10-,11-,12+/m0/s1
InChIKeyRUCBSGBJXPTCCP-SDDRHHMPSA-N
MW342.47 g/mol
LogP-0.34
Rot. Bonds6

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

(4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 90675112) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID90675112
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CSC[C@@H]1C(N)=O
InChIInChI=1S/C15H26N4O3S/c1-9(2)6-11(18-14(21)10-4-3-5-17-10)15(22)19-8-23-7-12(19)13(16)20/h9-12,17H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t10-,11-,12+/m0/s1
InChIKeyRUCBSGBJXPTCCP-SDDRHHMPSA-N
XLogP-0.34
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 5-0.34
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)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide (CID 90675112) is (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CSC[C@@H]1C(N)=O.
What is the InChIKey of (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RUCBSGBJXPTCCP-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-9(2)6-11(18-14(21)10-4-3-5-17-10)15(22)19-8-23-7-12(19)13(16)20/h9-12,17H,3-8H2,1-2H3,(H2,16,20)(H,18,21)/t10-,11-,12+/m0/s1.
What are the key properties of (4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of -0.34, 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)-pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 90675112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).