N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide

C11H19N3OS — CID 95509635

IUPACN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
SMILESCC[C@@H](NC(=O)CNC)c1nc(C)c(C)s1
InChIInChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyJAVVFYQFMIMVSR-SECBINFHSA-N
MW241.36 g/mol
LogP1.55
Rot. Bonds5

About N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide (PubChem CID 95509635) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
PubChem CID95509635
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
SMILESCC[C@@H](NC(=O)CNC)c1nc(C)c(C)s1
InChIInChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15)/t9-/m1/s1
InChIKeyJAVVFYQFMIMVSR-SECBINFHSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 118766836
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 95226256
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91777669
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
CID 118765250
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide (CID 95509635) is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide is CC[C@@H](NC(=O)CNC)c1nc(C)c(C)s1.
What is the InChIKey of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The InChIKey is JAVVFYQFMIMVSR-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 95509635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).