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

C17H23N3OS — CID 71986458

IUPACN-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide
SMILESCCC(C)(NCc1cccc(NC(C)=O)c1)c1nc(C)cs1
InChIInChI=1S/C17H23N3OS/c1-5-17(4,16-19-12(2)11-22-16)18-10-14-7-6-8-15(9-14)20-13(3)21/h6-9,11,18H,5,10H2,1-4H3,(H,20,21)
InChIKeyUKLDWOJWAUYRCV-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.82
Rot. Bonds6

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

N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide (PubChem CID 71986458) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide
PubChem CID71986458
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide
SMILESCCC(C)(NCc1cccc(NC(C)=O)c1)c1nc(C)cs1
InChIInChI=1S/C17H23N3OS/c1-5-17(4,16-19-12(2)11-22-16)18-10-14-7-6-8-15(9-14)20-13(3)21/h6-9,11,18H,5,10H2,1-4H3,(H,20,21)
InChIKeyUKLDWOJWAUYRCV-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]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-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
CID 95981814
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
CID 97025274
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylsulfamoylmethyl]benzoic acid
CID 138001360
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
(2S)-N-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 95783833
N-[3-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]butanamide
CID 47056457
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
2,2,2-trifluoro-N-[3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propyl]acetamide
CID 97095547
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
CID 120982996

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide (CID 71986458) is N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide is CCC(C)(NCc1cccc(NC(C)=O)c1)c1nc(C)cs1.
What is the InChIKey of N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide?
The InChIKey is UKLDWOJWAUYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-17(4,16-19-12(2)11-22-16)18-10-14-7-6-8-15(9-14)20-13(3)21/h6-9,11,18H,5,10H2,1-4H3,(H,20,21).
What are the key properties of N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide?
N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 71986458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).