N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H18N4O2S2 — CID 1117187

IUPACN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1
InChIInChI=1S/C17H18N4O2S2/c1-4-23-13-7-5-12(6-8-13)20-16-21-14(9-24-16)15-10(2)18-17(25-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyVGKNPLJJCMSBFQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

About N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1117187) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1117187
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1
InChIInChI=1S/C17H18N4O2S2/c1-4-23-13-7-5-12(6-8-13)20-16-21-14(9-24-16)15-10(2)18-17(25-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyVGKNPLJJCMSBFQ-UHFFFAOYSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]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

Tioxidazole
CID 72157
N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
5-(2-(2-Methoxyphenylamino)thiazol-4-yl)-4-methylthiazol-2-amine
CID 3120507
Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
CFTR corrector 12
CID 11958611
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
CID 96209
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 4101591
3-(6-Ethoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 948969
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
N-{2-[(3-hydroxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1117200

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 1117187) is N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCOc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1.
What is the InChIKey of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VGKNPLJJCMSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-23-13-7-5-12(6-8-13)20-16-21-14(9-24-16)15-10(2)18-17(25-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1117187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).