2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid

C21H23N5O3S — CID 162664514

IUPAC2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid
SMILESCN1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1
InChIInChI=1S/C21H23N5O3S/c1-25-8-10-26(11-9-25)21-24-19(22-13-17(27)28)18(30-21)20(29)23-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,22H,8-11,13H2,1H3,(H,23,29)(H,27,28)
InChIKeyPEDZSYYJQXOQIJ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.80
Rot. Bonds6

About 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid

2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid (PubChem CID 162664514) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid
PubChem CID162664514
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid
SMILESCN1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1
InChIInChI=1S/C21H23N5O3S/c1-25-8-10-26(11-9-25)21-24-19(22-13-17(27)28)18(30-21)20(29)23-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,22H,8-11,13H2,1H3,(H,23,29)(H,27,28)
InChIKeyPEDZSYYJQXOQIJ-UHFFFAOYSA-N
XLogP2.80
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N,4-diphenyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 42914913
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
3-[5-(naphthalen-2-ylcarbamoyl)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3-thiazol-4-yl]propanoic acid
CID 162674444
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 156888612
2-[2-methyl-5-(naphthalen-2-ylcarbamoyl)thiophen-3-yl]acetic acid
CID 854084
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
CID 54247739
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]acetamide
CID 30859261

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid (CID 162664514) is 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid is CN1CCN(c2nc(NCC(=O)O)c(C(=O)Nc3ccc4ccccc4c3)s2)CC1.
What is the InChIKey of 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid?
The InChIKey is PEDZSYYJQXOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-25-8-10-26(11-9-25)21-24-19(22-13-17(27)28)18(30-21)20(29)23-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,22H,8-11,13H2,1H3,(H,23,29)(H,27,28).
What are the key properties of 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid?
2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid has a molecular weight of 425.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperazin-1-yl)-5-(naphthalen-2-ylcarbamoyl)-1,3-thiazol-4-yl]amino]acetic acid is sourced from PubChem (CID 162664514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).