N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C19H21N5OS2 — CID 134535394

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3cc(-c4cccs4)ccc3N)s2)CC1
InChIInChI=1S/C19H21N5OS2/c1-23-6-8-24(9-7-23)19-21-12-17(27-19)18(25)22-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-12H,6-9,20H2,1H3,(H,22,25)
InChIKeyUFFPDLROZFWPBV-UHFFFAOYSA-N
MW399.55 g/mol
LogP3.46
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 134535394) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID134535394
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3cc(-c4cccs4)ccc3N)s2)CC1
InChIInChI=1S/C19H21N5OS2/c1-23-6-8-24(9-7-23)19-21-12-17(27-19)18(25)22-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-12H,6-9,20H2,1H3,(H,22,25)
InChIKeyUFFPDLROZFWPBV-UHFFFAOYSA-N
XLogP3.46
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 134535398
N-(2-amino-5-thiophen-2-ylphenyl)-8-cyclopropyl-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 90115885
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24783185
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-hydroxy-1-methyl-1,4-azaphosphinan-4-ium-4-yl)methyl]benzamide
CID 67317506
2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 69361449
[1-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]phosphonic acid
CID 69003485
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 134535394) is N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CN1CCN(c2ncc(C(=O)Nc3cc(-c4cccs4)ccc3N)s2)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UFFPDLROZFWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-23-6-8-24(9-7-23)19-21-12-17(27-19)18(25)22-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-12H,6-9,20H2,1H3,(H,22,25).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 399.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134535394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).