2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

C16H12ClN7OS2 — CID 3193200

IUPAC2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNc1ncnc2nc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)[nH]c12
InChIInChI=1S/C16H12ClN7OS2/c17-9-3-1-8(2-4-9)10-5-26-15(21-10)22-11(25)6-27-16-23-12-13(18)19-7-20-14(12)24-16/h1-5,7H,6H2,(H,21,22,25)(H3,18,19,20,23,24)
InChIKeyRJAHJGWISZCGNG-UHFFFAOYSA-N
MW417.91 g/mol
LogP3.44
Rot. Bonds5

About 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3193200) has the molecular formula C16H12ClN7OS2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3193200
Molecular FormulaC16H12ClN7OS2
Molecular Weight417.91 g/mol
Exact Mass417.02
IUPAC Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNc1ncnc2nc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)[nH]c12
InChIInChI=1S/C16H12ClN7OS2/c17-9-3-1-8(2-4-9)10-5-26-15(21-10)22-11(25)6-27-16-23-12-13(18)19-7-20-14(12)24-16/h1-5,7H,6H2,(H,21,22,25)(H3,18,19,20,23,24)
InChIKeyRJAHJGWISZCGNG-UHFFFAOYSA-N
XLogP3.44
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135723303
2-[[4-(4-chlorophenyl)-5-cyano-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 155811035
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 163326085
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135476954
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602168
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19715655
4-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18895417
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 124554451
N-[4-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712240
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3214111

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 3193200) is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Nc1ncnc2nc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)[nH]c12.
What is the InChIKey of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RJAHJGWISZCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7OS2/c17-9-3-1-8(2-4-9)10-5-26-15(21-10)22-11(25)6-27-16-23-12-13(18)19-7-20-14(12)24-16/h1-5,7H,6H2,(H,21,22,25)(H3,18,19,20,23,24).
What are the key properties of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 417.91 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3193200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).