N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C18H25N5OS — CID 18136677

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H25N5OS/c1-21(2)16-5-3-15(4-6-16)13-20-17(24)14-22-8-10-23(11-9-22)18-19-7-12-25-18/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,24)
InChIKeyKIOJWUFQUFDXCD-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.65
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 18136677) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID18136677
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H25N5OS/c1-21(2)16-5-3-15(4-6-16)13-20-17(24)14-22-8-10-23(11-9-22)18-19-7-12-25-18/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,24)
InChIKeyKIOJWUFQUFDXCD-UHFFFAOYSA-N
XLogP1.65
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 167991014
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 17444873
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136674
N-[[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 18138954
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136692
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020180

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 18136677) is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CN(C)c1ccc(CNC(=O)CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is KIOJWUFQUFDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-21(2)16-5-3-15(4-6-16)13-20-17(24)14-22-8-10-23(11-9-22)18-19-7-12-25-18/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18136677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).