N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide

C16H11ClN6OS — CID 174603379

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
SMILESO=C(Cn1cnc2ncncc21)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H11ClN6OS/c17-11-4-2-1-3-10(11)12-7-25-16(21-12)22-14(24)6-23-9-20-15-13(23)5-18-8-19-15/h1-5,7-9H,6H2,(H,21,22,24)
InChIKeyUUHCXGOWCLBCMK-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide (PubChem CID 174603379) has the molecular formula C16H11ClN6OS and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
PubChem CID174603379
Molecular FormulaC16H11ClN6OS
Molecular Weight370.83 g/mol
Exact Mass370.04
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
SMILESO=C(Cn1cnc2ncncc21)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H11ClN6OS/c17-11-4-2-1-3-10(11)12-7-25-16(21-12)22-14(24)6-23-9-20-15-13(23)5-18-8-19-15/h1-5,7-9H,6H2,(H,21,22,24)
InChIKeyUUHCXGOWCLBCMK-UHFFFAOYSA-N
XLogP3.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
CID 174618555
1,3-dimethyl-1,3-dihydrochrysene-2,6-dione;2-purin-7-yl-N-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 174618560
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029696
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 35966048
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide (CID 174603379) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide is O=C(Cn1cnc2ncncc21)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The InChIKey is UUHCXGOWCLBCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6OS/c17-11-4-2-1-3-10(11)12-7-25-16(21-12)22-14(24)6-23-9-20-15-13(23)5-18-8-19-15/h1-5,7-9H,6H2,(H,21,22,24).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide has a molecular weight of 370.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide is sourced from PubChem (CID 174603379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).