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

C10H19N3OS — CID 107857799

IUPACN-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C10H19N3OS/c1-6(2)8-5-15-10(13-8)12-7(3)9(14)11-4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyQPJZVIUXPNYROH-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.84
Rot. Bonds3

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

N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 107857799) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID107857799
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C10H19N3OS/c1-6(2)8-5-15-10(13-8)12-7(3)9(14)11-4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyQPJZVIUXPNYROH-UHFFFAOYSA-N
XLogP0.84
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.84
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-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 107857799) is N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CNC(=O)C(C)NC1=NC(C(C)C)CS1.
What is the InChIKey of N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is QPJZVIUXPNYROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-6(2)8-5-15-10(13-8)12-7(3)9(14)11-4/h6-8H,5H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 229.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 107857799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).