(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C10H19Cl2N3OS — CID 119896002

IUPAC(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCCc1cnc(CCNC(=O)[C@@H](C)N)s1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-3-8-6-13-9(15-8)4-5-12-10(14)7(2)11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H/t7-;;/m1../s1
InChIKeyILZABGTYWYQMFI-XCUBXKJBSA-N
MW300.26 g/mol
LogP1.55
Rot. Bonds5

About (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119896002) has the molecular formula C10H19Cl2N3OS and a molecular weight of 300.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119896002
Molecular FormulaC10H19Cl2N3OS
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCCc1cnc(CCNC(=O)[C@@H](C)N)s1.Cl.Cl
InChIInChI=1S/C10H17N3OS.2ClH/c1-3-8-6-13-9(15-8)4-5-12-10(14)7(2)11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H/t7-;;/m1../s1
InChIKeyILZABGTYWYQMFI-XCUBXKJBSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 71867691
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508868
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111510323
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111511673
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887745
N-butan-2-yl-3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111531982
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119896002) is (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is CCc1cnc(CCNC(=O)[C@@H](C)N)s1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is ILZABGTYWYQMFI-XCUBXKJBSA-N. The full InChI is InChI=1S/C10H17N3OS.2ClH/c1-3-8-6-13-9(15-8)4-5-12-10(14)7(2)11;;/h6-7H,3-5,11H2,1-2H3,(H,12,14);2*1H/t7-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 300.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119896002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).