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

C18H24N4O2S — CID 110374899

IUPAC2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1
InChIInChI=1S/C18H24N4O2S/c1-13-17(25-16(19-13)12-24-3)18(23)20-14-4-6-15(7-5-14)22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,20,23)
InChIKeyVOIZJAQMKKQIQG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.60
Rot. Bonds5

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

2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 110374899) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID110374899
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1
InChIInChI=1S/C18H24N4O2S/c1-13-17(25-16(19-13)12-24-3)18(23)20-14-4-6-15(7-5-14)22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,20,23)
InChIKeyVOIZJAQMKKQIQG-UHFFFAOYSA-N
XLogP2.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.60
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

2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110374646
2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46430563
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55762515
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
2-butyl-4-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 56556375
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 110374899) is 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)s1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VOIZJAQMKKQIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-17(25-16(19-13)12-24-3)18(23)20-14-4-6-15(7-5-14)22-10-8-21(2)9-11-22/h4-7H,8-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110374899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).