2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide

C18H16N4O2S — CID 39007461

IUPAC2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-18-22-16(11-25-18)17(24)21-15-9-7-14(8-10-15)20-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,24)(H,19,22,23)
InChIKeyTXAPIARYIBFAPF-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.10
Rot. Bonds5

About 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 39007461) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide
PubChem CID39007461
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1
InChIInChI=1S/C18H16N4O2S/c1-12(23)19-18-22-16(11-25-18)17(24)21-15-9-7-14(8-10-15)20-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,24)(H,19,22,23)
InChIKeyTXAPIARYIBFAPF-UHFFFAOYSA-N
XLogP4.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide (CID 39007461) is 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1.
What is the InChIKey of 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TXAPIARYIBFAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12(23)19-18-22-16(11-25-18)17(24)21-15-9-7-14(8-10-15)20-13-5-3-2-4-6-13/h2-11,20H,1H3,(H,21,24)(H,19,22,23).
What are the key properties of 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-anilinophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).