(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide

C14H29N3OS — CID 67881143

IUPAC(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide
SMILESCCCCC(NC(=O)[C@@H](N)CC(C)C)C1NCCS1
InChIInChI=1S/C14H29N3OS/c1-4-5-6-12(14-16-7-8-19-14)17-13(18)11(15)9-10(2)3/h10-12,14,16H,4-9,15H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1
InChIKeyWLLMQHVOWZHCMA-DCBWTQNWSA-N
MW287.47 g/mol
LogP1.70
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide

(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide (PubChem CID 67881143) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide
PubChem CID67881143
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide
SMILESCCCCC(NC(=O)[C@@H](N)CC(C)C)C1NCCS1
InChIInChI=1S/C14H29N3OS/c1-4-5-6-12(14-16-7-8-19-14)17-13(18)11(15)9-10(2)3/h10-12,14,16H,4-9,15H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1
InChIKeyWLLMQHVOWZHCMA-DCBWTQNWSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide (CID 67881143) is (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide is CCCCC(NC(=O)[C@@H](N)CC(C)C)C1NCCS1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide?
The InChIKey is WLLMQHVOWZHCMA-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-4-5-6-12(14-16-7-8-19-14)17-13(18)11(15)9-10(2)3/h10-12,14,16H,4-9,15H2,1-3H3,(H,17,18)/t11-,12?,14?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide?
(2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide has a molecular weight of 287.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[1-(1,3-thiazolidin-2-yl)pentyl]pentanamide is sourced from PubChem (CID 67881143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).