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

C21H24N4OS2 — CID 20995876

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1
InChIInChI=1S/C21H24N4OS2/c1-15-22-21(18-4-3-13-27-18)19(28-15)14-20(26)23-16-5-7-17(8-6-16)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyZWGUKSOLBMKIIG-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.11
Rot. Bonds5

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

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995876) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995876
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1
InChIInChI=1S/C21H24N4OS2/c1-15-22-21(18-4-3-13-27-18)19(28-15)14-20(26)23-16-5-7-17(8-6-16)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyZWGUKSOLBMKIIG-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 20995860
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995876) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is ZWGUKSOLBMKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-15-22-21(18-4-3-13-27-18)19(28-15)14-20(26)23-16-5-7-17(8-6-16)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 412.58 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).