N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C18H24N4O2S — CID 9420795

IUPACN-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCCC(C)C)n2)c(NC(C)=O)c1
InChIInChI=1S/C18H24N4O2S/c1-11(2)7-8-19-18-22-17(10-25-18)15-6-5-14(20-12(3)23)9-16(15)21-13(4)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyHVLIPXSFOHXXGS-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.18
Rot. Bonds7

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

N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9420795) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9420795
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCCC(C)C)n2)c(NC(C)=O)c1
InChIInChI=1S/C18H24N4O2S/c1-11(2)7-8-19-18-22-17(10-25-18)15-6-5-14(20-12(3)23)9-16(15)21-13(4)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyHVLIPXSFOHXXGS-UHFFFAOYSA-N
XLogP4.18
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]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

N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9421199
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 46519571
N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565397
4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 143103874
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
methyl 6-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]hexanoate
CID 17396535
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9420795) is N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NCCC(C)C)n2)c(NC(C)=O)c1.
What is the InChIKey of N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is HVLIPXSFOHXXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11(2)7-8-19-18-22-17(10-25-18)15-6-5-14(20-12(3)23)9-16(15)21-13(4)24/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[2-(3-methylbutylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9420795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).