2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C9H17Cl2N3OS — CID 119875872

IUPAC2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCc1csc(C(C)NC(=O)C(C)N)n1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5-4-14-9(11-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H
InChIKeyAGUADYNYKMSRFO-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119875872) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119875872
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCc1csc(C(C)NC(=O)C(C)N)n1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5-4-14-9(11-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H
InChIKeyAGUADYNYKMSRFO-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799857
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119875872) is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is Cc1csc(C(C)NC(=O)C(C)N)n1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is AGUADYNYKMSRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-5-4-14-9(11-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H.
What are the key properties of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 286.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119875872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).