2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C20H20N6O2S — CID 84556880

IUPAC2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C20H20N6O2S/c27-17(13-15-5-2-1-3-6-15)24-20-23-16(14-29-20)18(28)25-9-11-26(12-10-25)19-21-7-4-8-22-19/h1-8,14H,9-13H2,(H,23,24,27)
InChIKeyOCBUWNZUDJZQSG-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.08
Rot. Bonds5

About 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 84556880) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID84556880
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C20H20N6O2S/c27-17(13-15-5-2-1-3-6-15)24-20-23-16(14-29-20)18(28)25-9-11-26(12-10-25)19-21-7-4-8-22-19/h1-8,14H,9-13H2,(H,23,24,27)
InChIKeyOCBUWNZUDJZQSG-UHFFFAOYSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 84557251
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 48571475
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
1-[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 84556029

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 84556880) is 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1.
What is the InChIKey of 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OCBUWNZUDJZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c27-17(13-15-5-2-1-3-6-15)24-20-23-16(14-29-20)18(28)25-9-11-26(12-10-25)19-21-7-4-8-22-19/h1-8,14H,9-13H2,(H,23,24,27).
What are the key properties of 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 408.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 84556880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).