2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole

C9H6ClN5S2 — CID 104787517

IUPAC2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)nc3nc[nH]c23)n1
InChIInChI=1S/C9H6ClN5S2/c1-4-2-16-9(13-4)17-7-5-6(12-3-11-5)14-8(10)15-7/h2-3H,1H3,(H,11,12,14,15)
InChIKeySKUGPXSYHQPPHI-UHFFFAOYSA-N
MW283.77 g/mol
LogP2.92
Rot. Bonds2

About 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole

2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 104787517) has the molecular formula C9H6ClN5S2 and a molecular weight of 283.77 g/mol. Its IUPAC name is 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID104787517
Molecular FormulaC9H6ClN5S2
Molecular Weight283.77 g/mol
Exact Mass282.98
IUPAC Name2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Cl)nc3nc[nH]c23)n1
InChIInChI=1S/C9H6ClN5S2/c1-4-2-16-9(13-4)17-7-5-6(12-3-11-5)14-8(10)15-7/h2-3H,1H3,(H,11,12,14,15)
InChIKeySKUGPXSYHQPPHI-UHFFFAOYSA-N
XLogP2.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 104787570
5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104787555
2-chloro-6-(3-methylbutylsulfanyl)-7H-purine
CID 107751341
3-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 113453147
2,6-dichloro-7H-purine
CID 10750289
2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
CID 63779009
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037
2-(4-chlorophthalazin-1-yl)sulfanyl-4-methyl-1,3-thiazole
CID 55040701
6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
CID 114788402
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 104787517) is 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2nc(Cl)nc3nc[nH]c23)n1.
What is the InChIKey of 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is SKUGPXSYHQPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5S2/c1-4-2-16-9(13-4)17-7-5-6(12-3-11-5)14-8(10)15-7/h2-3H,1H3,(H,11,12,14,15).
What are the key properties of 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 283.77 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 104787517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).