4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole

C17H10N8S2 — CID 91488316

IUPAC4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole
SMILESc1cnc(-c2scnc2-c2ccsn2)c(-c2nccc(-c3cn[nH]n3)n2)c1
InChIInChI=1S/C17H10N8S2/c1-2-10(17-19-6-3-11(22-17)13-8-21-25-23-13)14(18-5-1)16-15(20-9-26-16)12-4-7-27-24-12/h1-9H,(H,21,23,25)
InChIKeyMCPCFTMHSSHBGD-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.57
Rot. Bonds4

About 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole

4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 91488316) has the molecular formula C17H10N8S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole
PubChem CID91488316
Molecular FormulaC17H10N8S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Name4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole
SMILESc1cnc(-c2scnc2-c2ccsn2)c(-c2nccc(-c3cn[nH]n3)n2)c1
InChIInChI=1S/C17H10N8S2/c1-2-10(17-19-6-3-11(22-17)13-8-21-25-23-13)14(18-5-1)16-15(20-9-26-16)12-4-7-27-24-12/h1-9H,(H,21,23,25)
InChIKeyMCPCFTMHSSHBGD-UHFFFAOYSA-N
XLogP3.57
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole with MolForge

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Related Compounds

2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyridine
CID 53262575
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 2999775
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522316
N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522324
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
(2S)-3-phenyl-1-N-[2-pyridin-4-yl-7-(2H-triazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596392
4-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136491564
4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522217
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522321
4-(1-methyl-1H-imidazol-2-yl)-1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H-1,2,3-triazole
CID 72870210

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole (CID 91488316) is 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole is c1cnc(-c2scnc2-c2ccsn2)c(-c2nccc(-c3cn[nH]n3)n2)c1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is MCPCFTMHSSHBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N8S2/c1-2-10(17-19-6-3-11(22-17)13-8-21-25-23-13)14(18-5-1)16-15(20-9-26-16)12-4-7-27-24-12/h1-9H,(H,21,23,25).
What are the key properties of 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole?
4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 390.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)-5-[3-[4-(2H-triazol-4-yl)pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 91488316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).