(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

C21H23N5OS — CID 126767111

IUPAC(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccnc(N2CCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)n1
InChIInChI=1S/C21H23N5OS/c1-15(2)17-8-9-22-21(24-17)26-12-10-25(11-13-26)20(27)19-23-18(14-28-19)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyXFUBGLWYIFHCQH-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.69
Rot. Bonds4

About (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone

(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 126767111) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID126767111
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1ccnc(N2CCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)n1
InChIInChI=1S/C21H23N5OS/c1-15(2)17-8-9-22-21(24-17)26-12-10-25(11-13-26)20(27)19-23-18(14-28-19)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3
InChIKeyXFUBGLWYIFHCQH-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,4R)-4-[4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167786580
(3S,4S)-4-methyl-1-(4-phenyl-1,3-thiazole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112197
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
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CID 26737251
1-methyl-5-[4-(4-phenylpyrimidin-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 77090822
(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
CID 125448423
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
CID 163310450
(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 126767111) is (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is CC(C)c1ccnc(N2CCN(C(=O)c3nc(-c4ccccc4)cs3)CC2)n1.
What is the InChIKey of (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is XFUBGLWYIFHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-15(2)17-8-9-22-21(24-17)26-12-10-25(11-13-26)20(27)19-23-18(14-28-19)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone?
(4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 393.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1,3-thiazol-2-yl)-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126767111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).