N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide

C17H22N4O2S — CID 75477546

IUPACN-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H22N4O2S/c1-11(16-19-12(2)10-24-16)9-18-17(23)20-14-6-5-7-15(8-14)21(4)13(3)22/h5-8,10-11H,9H2,1-4H3,(H2,18,20,23)
InChIKeyWOHHQFFEQVAKEI-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.36
Rot. Bonds5

About N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide

N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide (PubChem CID 75477546) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
PubChem CID75477546
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H22N4O2S/c1-11(16-19-12(2)10-24-16)9-18-17(23)20-14-6-5-7-15(8-14)21(4)13(3)22/h5-8,10-11H,9H2,1-4H3,(H2,18,20,23)
InChIKeyWOHHQFFEQVAKEI-UHFFFAOYSA-N
XLogP3.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505217
N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
CID 71984767
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide (CID 75477546) is N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide is CC(=O)N(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1.
What is the InChIKey of N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide?
The InChIKey is WOHHQFFEQVAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(16-19-12(2)10-24-16)9-18-17(23)20-14-6-5-7-15(8-14)21(4)13(3)22/h5-8,10-11H,9H2,1-4H3,(H2,18,20,23).
What are the key properties of N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide?
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 75477546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).