N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C8H15N3OS — CID 61467677

IUPACN-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(C)CS1
InChIInChI=1S/C8H15N3OS/c1-5-4-13-8(10-5)11-6(2)7(12)9-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyNJLUWEMYSMXWTK-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.20
Rot. Bonds2

About N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 61467677) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID61467677
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(C)CS1
InChIInChI=1S/C8H15N3OS/c1-5-4-13-8(10-5)11-6(2)7(12)9-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyNJLUWEMYSMXWTK-UHFFFAOYSA-N
XLogP0.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 61467677) is N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CNC(=O)C(C)NC1=NC(C)CS1.
What is the InChIKey of N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is NJLUWEMYSMXWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5-4-13-8(10-5)11-6(2)7(12)9-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 201.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 61467677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).