2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole

C19H19N5S — CID 127043107

IUPAC2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccn4ncnc4n3)s2)cc1
InChIInChI=1S/C19H19N5S/c1-3-4-5-14-6-8-15(9-7-14)18-22-13(2)17(25-18)16-10-11-24-19(23-16)20-12-21-24/h6-12H,3-5H2,1-2H3
InChIKeyOWLKUFLWWWEMSA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole

2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole (PubChem CID 127043107) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
PubChem CID127043107
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccn4ncnc4n3)s2)cc1
InChIInChI=1S/C19H19N5S/c1-3-4-5-14-6-8-15(9-7-14)18-22-13(2)17(25-18)16-10-11-24-19(23-16)20-12-21-24/h6-12H,3-5H2,1-2H3
InChIKeyOWLKUFLWWWEMSA-UHFFFAOYSA-N
XLogP4.57
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

TH1020
CID 124203921
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
7-Ethylsulfanyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1988312
3-(4-Tert-butylphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848736
2-(Methylthio)-7-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1482338
4-(4-Methyl-benzylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 3844442
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
2-(4-Fluorophenyl)-7-methylthio-3-(4-pyrimidinyl)pyrazolo[1,5-a]pyridine
CID 9945696
5-(methylsulfonyl)-2-(5-(4-(thiazol-2-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 18768833
5-(methylsulfonyl)-2-(5-(4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine
CID 20601455

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole (CID 127043107) is 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole is CCCCc1ccc(-c2nc(C)c(-c3ccn4ncnc4n3)s2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
The InChIKey is OWLKUFLWWWEMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-3-4-5-14-6-8-15(9-7-14)18-22-13(2)17(25-18)16-10-11-24-19(23-16)20-12-21-24/h6-12H,3-5H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole?
2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole has a molecular weight of 349.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole is sourced from PubChem (CID 127043107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).