7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

C17H11ClN4S2 — CID 155810499

IUPAC7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESNc1nc(-c2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C17H11ClN4S2/c18-11-8-6-10(7-9-11)15-20-14(19)13-16(21-15)22(17(23)24-13)12-4-2-1-3-5-12/h1-9H,(H2,19,20,21)
InChIKeyAJTSSPAMBYGUDE-UHFFFAOYSA-N
MW370.89 g/mol
LogP5.11
Rot. Bonds2

About 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (PubChem CID 155810499) has the molecular formula C17H11ClN4S2 and a molecular weight of 370.89 g/mol. Its IUPAC name is 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.

Molecular Properties

Compound Name7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
PubChem CID155810499
Molecular FormulaC17H11ClN4S2
Molecular Weight370.89 g/mol
Exact Mass370.01
IUPAC Name7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESNc1nc(-c2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C17H11ClN4S2/c18-11-8-6-10(7-9-11)15-20-14(19)13-16(21-15)22(17(23)24-13)12-4-2-1-3-5-12/h1-9H,(H2,19,20,21)
InChIKeyAJTSSPAMBYGUDE-UHFFFAOYSA-N
XLogP5.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.89
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)propanedinitrile
CID 10068668
N-(3,5-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-2,2,2-trifluoroacetamide
CID 155805718
5-[2-(4-chlorophenyl)ethenyl]-3-phenyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135535599
5-[(4-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 3642996
5-(2-chlorophenyl)-3-phenyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135439745
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 136741643
3-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135951276
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-ethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 5047995
3-(4-chlorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135951286
5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 5200031

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The IUPAC name of 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (CID 155810499) is 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
What is the SMILES notation for 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The canonical SMILES for 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is Nc1nc(-c2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1.
What is the InChIKey of 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The InChIKey is AJTSSPAMBYGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4S2/c18-11-8-6-10(7-9-11)15-20-14(19)13-16(21-15)22(17(23)24-13)12-4-2-1-3-5-12/h1-9H,(H2,19,20,21).
What are the key properties of 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione has a molecular weight of 370.89 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is sourced from PubChem (CID 155810499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).