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

C10H17N3OS — CID 63239940

IUPAC2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-2-3-8(11)10(14)13-5-4-9-12-6-7-15-9/h6-8H,2-5,11H2,1H3,(H,13,14)
InChIKeyIUZJAQYNCKMPLJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.93
Rot. Bonds6

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

2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide (PubChem CID 63239940) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
PubChem CID63239940
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-2-3-8(11)10(14)13-5-4-9-12-6-7-15-9/h6-8H,2-5,11H2,1H3,(H,13,14)
InChIKeyIUZJAQYNCKMPLJ-UHFFFAOYSA-N
XLogP0.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
(2S)-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107566965
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 103797782
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide (CID 63239940) is 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide is CCCC(N)C(=O)NCCc1nccs1.
What is the InChIKey of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
The InChIKey is IUZJAQYNCKMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-3-8(11)10(14)13-5-4-9-12-6-7-15-9/h6-8H,2-5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide?
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide has a molecular weight of 227.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 63239940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).