1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one

C18H18ClN5OS — CID 1462182

IUPAC1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1
InChIInChI=1S/C18H18ClN5OS/c1-2-14(25)23-7-9-24(10-8-23)18-17-16(20-11-21-18)15(22-26-17)12-3-5-13(19)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyBQUKWKJLRIXCTE-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.47
Rot. Bonds3

About 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one

1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one (PubChem CID 1462182) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one
PubChem CID1462182
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1
InChIInChI=1S/C18H18ClN5OS/c1-2-14(25)23-7-9-24(10-8-23)18-17-16(20-11-21-18)15(22-26-17)12-3-5-13(19)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyBQUKWKJLRIXCTE-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]-N-methylpiperazine-1-carbothioamide
CID 1462148
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 1462179
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 24792297
4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3777842
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 1462180
7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
CID 3700553
[4-[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1461980
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 3299993
ethyl 1-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxylate
CID 1462076
N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 1462046
1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol
CID 1462037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one (CID 1462182) is 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one?
The InChIKey is BQUKWKJLRIXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-2-14(25)23-7-9-24(10-8-23)18-17-16(20-11-21-18)15(22-26-17)12-3-5-13(19)6-4-12/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one?
1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one has a molecular weight of 387.90 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 1462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).