2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole

C9H6ClN7S2 — CID 55124967

IUPAC2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)nc(-n3cncn3)n2)n1
InChIInChI=1S/C9H6ClN7S2/c1-5-2-18-9(13-5)19-8-15-6(10)14-7(16-8)17-4-11-3-12-17/h2-4H,1H3
InChIKeyVAYBQYDLZHXDIE-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.02
Rot. Bonds3

About 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole

2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 55124967) has the molecular formula C9H6ClN7S2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole
PubChem CID55124967
Molecular FormulaC9H6ClN7S2
Molecular Weight311.78 g/mol
Exact Mass310.98
IUPAC Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)nc(-n3cncn3)n2)n1
InChIInChI=1S/C9H6ClN7S2/c1-5-2-18-9(13-5)19-8-15-6(10)14-7(16-8)17-4-11-3-12-17/h2-4H,1H3
InChIKeyVAYBQYDLZHXDIE-UHFFFAOYSA-N
XLogP2.02
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62866348
2-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 102925195
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 107780778
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80929997
4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62865224
[4-(4-methylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80925315
4-chloro-N-ethyl-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868704

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole (CID 55124967) is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2nc(Cl)nc(-n3cncn3)n2)n1.
What is the InChIKey of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is VAYBQYDLZHXDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN7S2/c1-5-2-18-9(13-5)19-8-15-6(10)14-7(16-8)17-4-11-3-12-17/h2-4H,1H3.
What are the key properties of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole?
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 311.78 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 55124967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).