5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C16H23N7S — CID 56795551

IUPAC5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCCc1cc(N2CCN(C3=NCC(C)S3)CC2)n2ncnc2n1
InChIInChI=1S/C16H23N7S/c1-3-4-13-9-14(23-15(20-13)18-11-19-23)21-5-7-22(8-6-21)16-17-10-12(2)24-16/h9,11-12H,3-8,10H2,1-2H3
InChIKeyHYFPSOCMXSKAPY-UHFFFAOYSA-N
MW345.48 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 56795551) has the molecular formula C16H23N7S and a molecular weight of 345.48 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID56795551
Molecular FormulaC16H23N7S
Molecular Weight345.48 g/mol
Exact Mass345.17
IUPAC Name5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCCc1cc(N2CCN(C3=NCC(C)S3)CC2)n2ncnc2n1
InChIInChI=1S/C16H23N7S/c1-3-4-13-9-14(23-15(20-13)18-11-19-23)21-5-7-22(8-6-21)16-17-10-12(2)24-16/h9,11-12H,3-8,10H2,1-2H3
InChIKeyHYFPSOCMXSKAPY-UHFFFAOYSA-N
XLogP1.69
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid
CID 122106768
1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 126770658
(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 95282609
7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95599921
(2S)-2-(3-chlorophenyl)-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 99821872
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
N-[(4-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227327
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46096770
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 128953223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 56795551) is 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is CCCc1cc(N2CCN(C3=NCC(C)S3)CC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is HYFPSOCMXSKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7S/c1-3-4-13-9-14(23-15(20-13)18-11-19-23)21-5-7-22(8-6-21)16-17-10-12(2)24-16/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 345.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 56795551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).