5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C9H15N3OS — CID 82682761

IUPAC5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(CN)CCC(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-7(6-10)2-3-8(13)12-9-11-4-5-14-9/h4-5,7H,2-3,6,10H2,1H3,(H,11,12,13)
InChIKeyTUXIKIZSFIQHJG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.46
Rot. Bonds5

About 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 82682761) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID82682761
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(CN)CCC(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-7(6-10)2-3-8(13)12-9-11-4-5-14-9/h4-5,7H,2-3,6,10H2,1H3,(H,11,12,13)
InChIKeyTUXIKIZSFIQHJG-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 82682761) is 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(CN)CCC(=O)Nc1nccs1.
What is the InChIKey of 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is TUXIKIZSFIQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(6-10)2-3-8(13)12-9-11-4-5-14-9/h4-5,7H,2-3,6,10H2,1H3,(H,11,12,13).
What are the key properties of 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 213.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 82682761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).