2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide

C9H15N3OS — CID 61283682

IUPAC2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-3-7(10)9(13)12-6-8-11-4-5-14-8/h4-5,7H,2-3,6,10H2,1H3,(H,12,13)
InChIKeyGETAAVNGWSJKLX-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.89
Rot. Bonds5

About 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide

2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 61283682) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
PubChem CID61283682
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)NCc1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-3-7(10)9(13)12-6-8-11-4-5-14-8/h4-5,7H,2-3,6,10H2,1H3,(H,12,13)
InChIKeyGETAAVNGWSJKLX-UHFFFAOYSA-N
XLogP0.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 61283682) is 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide is CCCC(N)C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is GETAAVNGWSJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-7(10)9(13)12-6-8-11-4-5-14-8/h4-5,7H,2-3,6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide?
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 213.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 61283682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).