2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C21H23N5OS — CID 24967393

IUPAC2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1
InChIInChI=1S/C21H23N5OS/c1-25(16-7-3-2-4-8-16)21-24-18(15-28-21)20(27)23-17-9-5-6-10-19(17)26-13-11-22-12-14-26/h2-10,15,22H,11-14H2,1H3,(H,23,27)
InChIKeyKVWPVNNATUQLIH-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.57
Rot. Bonds5

About 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24967393) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24967393
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1
InChIInChI=1S/C21H23N5OS/c1-25(16-7-3-2-4-8-16)21-24-18(15-28-21)20(27)23-17-9-5-6-10-19(17)26-13-11-22-12-14-26/h2-10,15,22H,11-14H2,1H3,(H,23,27)
InChIKeyKVWPVNNATUQLIH-UHFFFAOYSA-N
XLogP3.57
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24967393) is 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is CN(c1ccccc1)c1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1.
What is the InChIKey of 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KVWPVNNATUQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-25(16-7-3-2-4-8-16)21-24-18(15-28-21)20(27)23-17-9-5-6-10-19(17)26-13-11-22-12-14-26/h2-10,15,22H,11-14H2,1H3,(H,23,27).
What are the key properties of 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24967393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).