2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride

C9H17Cl2N3OS — CID 119868973

IUPAC2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1cscn1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-7(3-10-2)9(13)11-4-8-5-14-6-12-8;;/h5-7,10H,3-4H2,1-2H3,(H,11,13);2*1H
InChIKeyACXZLQAONLVPCX-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride (PubChem CID 119868973) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
PubChem CID119868973
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC Name2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCc1cscn1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-7(3-10-2)9(13)11-4-8-5-14-6-12-8;;/h5-7,10H,3-4H2,1-2H3,(H,11,13);2*1H
InChIKeyACXZLQAONLVPCX-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 55259705
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
3-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]butanamide
CID 46388535
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride (CID 119868973) is 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride is CNCC(C)C(=O)NCc1cscn1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride?
The InChIKey is ACXZLQAONLVPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-7(3-10-2)9(13)11-4-8-5-14-6-12-8;;/h5-7,10H,3-4H2,1-2H3,(H,11,13);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride has a molecular weight of 286.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119868973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).