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

C12H21N3OS — CID 71846432

IUPACN-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
SMILESCCN(C)C(=O)CCN(C)Cc1cnc(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-15(4)12(16)6-7-14(3)9-11-8-13-10(2)17-11/h8H,5-7,9H2,1-4H3
InChIKeyJUMXLBZTGZWBIS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.75
Rot. Bonds6

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

N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide (PubChem CID 71846432) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
PubChem CID71846432
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
SMILESCCN(C)C(=O)CCN(C)Cc1cnc(C)s1
InChIInChI=1S/C12H21N3OS/c1-5-15(4)12(16)6-7-14(3)9-11-8-13-10(2)17-11/h8H,5-7,9H2,1-4H3
InChIKeyJUMXLBZTGZWBIS-UHFFFAOYSA-N
XLogP1.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide (CID 71846432) is N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide is CCN(C)C(=O)CCN(C)Cc1cnc(C)s1.
What is the InChIKey of N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
The InChIKey is JUMXLBZTGZWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-15(4)12(16)6-7-14(3)9-11-8-13-10(2)17-11/h8H,5-7,9H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide?
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide is sourced from PubChem (CID 71846432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).