4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole

C20H21N7S — CID 127652721

IUPAC4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1nc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)sc1C
InChIInChI=1S/C20H21N7S/c1-14-15(2)28-20(23-14)26-10-8-25(9-11-26)18-12-17(16-6-4-3-5-7-16)24-19-21-13-22-27(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeySYNLROZPRKWWBA-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.19
Rot. Bonds3

About 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole

4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 127652721) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID127652721
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC Name4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1nc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)sc1C
InChIInChI=1S/C20H21N7S/c1-14-15(2)28-20(23-14)26-10-8-25(9-11-26)18-12-17(16-6-4-3-5-7-16)24-19-21-13-22-27(18)19/h3-7,12-13H,8-11H2,1-2H3
InChIKeySYNLROZPRKWWBA-UHFFFAOYSA-N
XLogP3.19
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 138992021
2-ethyl-4-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272950
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3227252
7-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92771815
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 648498
N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
CID 154751124
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
CID 133390857
5-methoxy-2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 133450471
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole (CID 127652721) is 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole is Cc1nc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is SYNLROZPRKWWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S/c1-14-15(2)28-20(23-14)26-10-8-25(9-11-26)18-12-17(16-6-4-3-5-7-16)24-19-21-13-22-27(18)19/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole?
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 391.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 127652721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).