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

C11H19N3OS — CID 104903572

IUPAC(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC(C)c1nccs1
InChIInChI=1S/C11H19N3OS/c1-7(2)6-9(12)10(15)14-8(3)11-13-4-5-16-11/h4-5,7-9H,6,12H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyLFUPLGCIGZJINP-YGPZHTELSA-N
MW241.36 g/mol
LogP1.69
Rot. Bonds5

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

(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide (PubChem CID 104903572) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
PubChem CID104903572
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC(C)c1nccs1
InChIInChI=1S/C11H19N3OS/c1-7(2)6-9(12)10(15)14-8(3)11-13-4-5-16-11/h4-5,7-9H,6,12H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyLFUPLGCIGZJINP-YGPZHTELSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
CID 113308977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide (CID 104903572) is (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide is CC(C)C[C@@H](N)C(=O)NC(C)c1nccs1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide?
The InChIKey is LFUPLGCIGZJINP-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)6-9(12)10(15)14-8(3)11-13-4-5-16-11/h4-5,7-9H,6,12H2,1-3H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide?
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide has a molecular weight of 241.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 104903572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).