N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C18H24N4O2S — CID 17019578

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-14(2)25-18(19-13)20-17(23)12-21-8-10-22(11-9-21)15-4-6-16(24-3)7-5-15/h4-7H,8-12H2,1-3H3,(H,19,20,23)
InChIKeyRALVQJMRBYNDTI-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.53
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 17019578) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID17019578
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-14(2)25-18(19-13)20-17(23)12-21-8-10-22(11-9-21)15-4-6-16(24-3)7-5-15/h4-7H,8-12H2,1-3H3,(H,19,20,23)
InChIKeyRALVQJMRBYNDTI-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]acetamide
CID 16674311
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 54466738
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3212837
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 22198602
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46690058
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 17019578) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3nc(C)c(C)s3)CC2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is RALVQJMRBYNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-14(2)25-18(19-13)20-17(23)12-21-8-10-22(11-9-21)15-4-6-16(24-3)7-5-15/h4-7H,8-12H2,1-3H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17019578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).