2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine

C12H8ClN3S2 — CID 15143169

IUPAC2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncnc2sc(SCc3ccccc3)nc12
InChIInChI=1S/C12H8ClN3S2/c13-10-9-11(15-7-14-10)18-12(16-9)17-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyNFWDQTBRVCGYJG-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.03
Rot. Bonds3

About 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine

2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 15143169) has the molecular formula C12H8ClN3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID15143169
Molecular FormulaC12H8ClN3S2
Molecular Weight293.80 g/mol
Exact Mass292.98
IUPAC Name2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncnc2sc(SCc3ccccc3)nc12
InChIInChI=1S/C12H8ClN3S2/c13-10-9-11(15-7-14-10)18-12(16-9)17-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyNFWDQTBRVCGYJG-UHFFFAOYSA-N
XLogP4.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80693138
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
3-benzylsulfanyl-8-chloro-1,7-naphthyridine
CID 86687547
2-benzyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-benzyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 158774838
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
2-benzylsulfanyl-4-chloro-5-iodopyrimidine
CID 91469234
4-benzylsulfanyl-6-chloro-2,5-dimethylpyrimidine
CID 63731221
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857
4-benzylsulfanyl-2-chloro-5-fluoropyrimidine
CID 79075704

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine (CID 15143169) is 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine is Clc1ncnc2sc(SCc3ccccc3)nc12.
What is the InChIKey of 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is NFWDQTBRVCGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S2/c13-10-9-11(15-7-14-10)18-12(16-9)17-6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 293.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 15143169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).