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

C21H24N4OS2 — CID 39966448

IUPAC4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C21H24N4OS2/c1-14-13-16(25-10-8-24(3)9-11-25)6-7-17(14)23-20(26)19-15(2)22-21(28-19)18-5-4-12-27-18/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)
InChIKeyQWYRQXFHRVPULR-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.49
Rot. Bonds4

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

4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 39966448) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID39966448
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C21H24N4OS2/c1-14-13-16(25-10-8-24(3)9-11-25)6-7-17(14)23-20(26)19-15(2)22-21(28-19)18-5-4-12-27-18/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)
InChIKeyQWYRQXFHRVPULR-UHFFFAOYSA-N
XLogP4.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.49
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-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78776043
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
N-(5-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18206899
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 71794931
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375
1-[4-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 27674640
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-(4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31410008
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 39966448) is 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QWYRQXFHRVPULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-14-13-16(25-10-8-24(3)9-11-25)6-7-17(14)23-20(26)19-15(2)22-21(28-19)18-5-4-12-27-18/h4-7,12-13H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39966448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).