2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

C10H17N3O2S — CID 106381351

IUPAC2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-3-7(4-11)9(14)12-5-8-6-16-10(15)13-8/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVXWAWSDFTDBBNU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.43
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 106381351) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID106381351
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-3-7(4-11)9(14)12-5-8-6-16-10(15)13-8/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVXWAWSDFTDBBNU-UHFFFAOYSA-N
XLogP0.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (CID 106381351) is 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is CCCC(CN)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is VXWAWSDFTDBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-7(4-11)9(14)12-5-8-6-16-10(15)13-8/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 243.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 106381351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).