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

C11H19N3OS — CID 82688020

IUPAC5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCC(CN)CCC(=O)NCCc1cscn1
InChIInChI=1S/C11H19N3OS/c1-9(6-12)2-3-11(15)13-5-4-10-7-16-8-14-10/h7-9H,2-6,12H2,1H3,(H,13,15)
InChIKeyKZSYPUZGVIUBNQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.18
Rot. Bonds7

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

5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide (PubChem CID 82688020) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
PubChem CID82688020
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
SMILESCC(CN)CCC(=O)NCCc1cscn1
InChIInChI=1S/C11H19N3OS/c1-9(6-12)2-3-11(15)13-5-4-10-7-16-8-14-10/h7-9H,2-6,12H2,1H3,(H,13,15)
InChIKeyKZSYPUZGVIUBNQ-UHFFFAOYSA-N
XLogP1.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
CID 104682227
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide (CID 82688020) is 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide is CC(CN)CCC(=O)NCCc1cscn1.
What is the InChIKey of 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide?
The InChIKey is KZSYPUZGVIUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(6-12)2-3-11(15)13-5-4-10-7-16-8-14-10/h7-9H,2-6,12H2,1H3,(H,13,15).
What are the key properties of 5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide?
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.18, 7 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-[2-(1,3-thiazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 82688020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).