2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride

C13H24ClN3OS — CID 119810811

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1sc(C)nc1CC(C)C.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-8(2)6-11-13(18-10(4)15-11)16-12(17)9(3)7-14-5;/h8-9,14H,6-7H2,1-5H3,(H,16,17);1H
InChIKeyVZKWHGKIEGNYEF-UHFFFAOYSA-N
MW305.88 g/mol
LogP2.87
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride (PubChem CID 119810811) has the molecular formula C13H24ClN3OS and a molecular weight of 305.88 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
PubChem CID119810811
Molecular FormulaC13H24ClN3OS
Molecular Weight305.88 g/mol
Exact Mass305.13
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1sc(C)nc1CC(C)C.Cl
InChIInChI=1S/C13H23N3OS.ClH/c1-8(2)6-11-13(18-10(4)15-11)16-12(17)9(3)7-14-5;/h8-9,14H,6-7H2,1-5H3,(H,16,17);1H
InChIKeyVZKWHGKIEGNYEF-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.88
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride (CID 119810811) is 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1sc(C)nc1CC(C)C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
The InChIKey is VZKWHGKIEGNYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.ClH/c1-8(2)6-11-13(18-10(4)15-11)16-12(17)9(3)7-14-5;/h8-9,14H,6-7H2,1-5H3,(H,16,17);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride has a molecular weight of 305.88 g/mol, XLogP of 2.87, 6 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-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119810811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).