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

C9H17Cl2N3OS — CID 119898126

IUPAC(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)[C@H](C)N)s1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H/t6-,7?;;/m0../s1
InChIKeyMFBPKRYAYKLQLA-VNGAUYPHSA-N
MW286.23 g/mol
LogP1.82
Rot. Bonds3

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

(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119898126) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119898126
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC Name(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)[C@H](C)N)s1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H/t6-,7?;;/m0../s1
InChIKeyMFBPKRYAYKLQLA-VNGAUYPHSA-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

(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
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CID 119898142
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 112702019
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119898126) is (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is Cc1cnc(C(C)NC(=O)[C@H](C)N)s1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is MFBPKRYAYKLQLA-VNGAUYPHSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-5-4-11-9(14-5)7(3)12-8(13)6(2)10;;/h4,6-7H,10H2,1-3H3,(H,12,13);2*1H/t6-,7?;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
(2S)-2-amino-N-[1-(5-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 (2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119898126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).