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

C17H19N5OS2 — CID 1117215

IUPACN-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C17H19N5OS2/c1-10-15(25-17(18-10)19-11(2)23)14-9-24-16(21-14)20-12-5-7-13(8-6-12)22(3)4/h5-9H,1-4H3,(H,20,21)(H,18,19,23)
InChIKeyHGPRESXNETXLRK-UHFFFAOYSA-N
MW373.51 g/mol
LogP4.34
Rot. Bonds5

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

N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1117215) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1117215
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1
InChIInChI=1S/C17H19N5OS2/c1-10-15(25-17(18-10)19-11(2)23)14-9-24-16(21-14)20-12-5-7-13(8-6-12)22(3)4/h5-9H,1-4H3,(H,20,21)(H,18,19,23)
InChIKeyHGPRESXNETXLRK-UHFFFAOYSA-N
XLogP4.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[5-[2-[4-(dimethylamino)anilino]-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

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(2-Amino-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 40480560
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
N-[5-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 1186941
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
N-[4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-acetamide
CID 2877744
N-(4'-Methyl-2-m-tolylamino-[4,5']bithiazolyl-2'-yl)-acetamide
CID 3112395
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1092471
N-[2-(allylamino)-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 2292227

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 1117215) is N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1.
What is the InChIKey of N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is HGPRESXNETXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-10-15(25-17(18-10)19-11(2)23)14-9-24-16(21-14)20-12-5-7-13(8-6-12)22(3)4/h5-9H,1-4H3,(H,20,21)(H,18,19,23).
What are the key properties of N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1117215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).