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

C17H22N4OS — CID 110862459

IUPAC2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)s1
InChIInChI=1S/C17H22N4OS/c1-12-16(18-13(2)23-12)17(22)19-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7H,8-11H2,1-3H3,(H,19,22)
InChIKeyXRWGWMKQIKHHEW-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.76
Rot. Bonds3

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

2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 110862459) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID110862459
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)s1
InChIInChI=1S/C17H22N4OS/c1-12-16(18-13(2)23-12)17(22)19-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7H,8-11H2,1-3H3,(H,19,22)
InChIKeyXRWGWMKQIKHHEW-UHFFFAOYSA-N
XLogP2.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 35535212
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 110374899
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995876
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 110862459) is 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XRWGWMKQIKHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-16(18-13(2)23-12)17(22)19-14-4-6-15(7-5-14)21-10-8-20(3)9-11-21/h4-7H,8-11H2,1-3H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110862459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).