2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide

C15H17N5O3S — CID 69361449

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3ccccc3[N+](=O)[O-])s2)CC1
InChIInChI=1S/C15H17N5O3S/c1-18-6-8-19(9-7-18)15-16-10-13(24-15)14(21)17-11-4-2-3-5-12(11)20(22)23/h2-5,10H,6-9H2,1H3,(H,17,21)
InChIKeyXVCUMKGXDKKYCA-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.06
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide

2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 69361449) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID69361449
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3ccccc3[N+](=O)[O-])s2)CC1
InChIInChI=1S/C15H17N5O3S/c1-18-6-8-19(9-7-18)15-16-10-13(24-15)14(21)17-11-4-2-3-5-12(11)20(22)23/h2-5,10H,6-9H2,1H3,(H,17,21)
InChIKeyXVCUMKGXDKKYCA-UHFFFAOYSA-N
XLogP2.06
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-nitrothiophene-2-carboxamide
CID 31826641
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
CID 19478431
N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3568365
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
N-(2-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 53483863
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19266528
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
N-[3-(4-methylpiperazin-1-yl)phenyl]sulfanyl-2-nitroaniline
CID 175909286
4-(diethylsulfamoyl)-N-(2-nitrophenyl)thiophene-2-carboxamide
CID 2907877
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 69361449) is 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide is CN1CCN(c2ncc(C(=O)Nc3ccccc3[N+](=O)[O-])s2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XVCUMKGXDKKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-18-6-8-19(9-7-18)15-16-10-13(24-15)14(21)17-11-4-2-3-5-12(11)20(22)23/h2-5,10H,6-9H2,1H3,(H,17,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 69361449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).