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

C20H21N5OS — CID 24779781

IUPAC2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C20H21N5OS/c26-19(17-14-27-20(24-17)22-15-6-2-1-3-7-15)23-16-8-4-5-9-18(16)25-12-10-21-11-13-25/h1-9,14,21H,10-13H2,(H,22,24)(H,23,26)
InChIKeyGOHJKCRHNWMRCD-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.55
Rot. Bonds5

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

2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24779781) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24779781
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C20H21N5OS/c26-19(17-14-27-20(24-17)22-15-6-2-1-3-7-15)23-16-8-4-5-9-18(16)25-12-10-21-11-13-25/h1-9,14,21H,10-13H2,(H,22,24)(H,23,26)
InChIKeyGOHJKCRHNWMRCD-UHFFFAOYSA-N
XLogP3.55
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24779781) is 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GOHJKCRHNWMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(17-14-27-20(24-17)22-15-6-2-1-3-7-15)23-16-8-4-5-9-18(16)25-12-10-21-11-13-25/h1-9,14,21H,10-13H2,(H,22,24)(H,23,26).
What are the key properties of 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24779781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).