2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride

C9H16ClN3O2S — CID 120992010

IUPAC2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1sc(C)nc1C.Cl
InChIInChI=1S/C9H15N3O2S.ClH/c1-5-9(15-6(2)11-5)12-8(13)7(10)4-14-3;/h7H,4,10H2,1-3H3,(H,12,13);1H
InChIKeyYOVNUYCOQPSXCV-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride

2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride (PubChem CID 120992010) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride
PubChem CID120992010
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC Name2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1sc(C)nc1C.Cl
InChIInChI=1S/C9H15N3O2S.ClH/c1-5-9(15-6(2)11-5)12-8(13)7(10)4-14-3;/h7H,4,10H2,1-3H3,(H,12,13);1H
InChIKeyYOVNUYCOQPSXCV-UHFFFAOYSA-N
XLogP1.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride (CID 120992010) is 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1sc(C)nc1C.Cl.
What is the InChIKey of 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride?
The InChIKey is YOVNUYCOQPSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S.ClH/c1-5-9(15-6(2)11-5)12-8(13)7(10)4-14-3;/h7H,4,10H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride has a molecular weight of 265.77 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120992010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).