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

C24H22ClN5O3S — CID 1462179

IUPAC[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)c1
InChIInChI=1S/C24H22ClN5O3S/c1-32-18-11-16(12-19(13-18)33-2)24(31)30-9-7-29(8-10-30)23-22-21(26-14-27-23)20(28-34-22)15-3-5-17(25)6-4-15/h3-6,11-14H,7-10H2,1-2H3
InChIKeyFNCXLEDLSIZTNJ-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.39
Rot. Bonds5

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

[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 1462179) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID1462179
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC Name[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)c1
InChIInChI=1S/C24H22ClN5O3S/c1-32-18-11-16(12-19(13-18)33-2)24(31)30-9-7-29(8-10-30)23-22-21(26-14-27-23)20(28-34-22)15-3-5-17(25)6-4-15/h3-6,11-14H,7-10H2,1-2H3
InChIKeyFNCXLEDLSIZTNJ-UHFFFAOYSA-N
XLogP4.39
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one
CID 1462182
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 1462180
[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-methylpiperazine-1-carbothioamide
CID 1462148
[4-[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1461980
[4-[3-(4-chlorophenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 41243999
4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3777842
N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 3299993
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 1462091
3-(4-fluorophenyl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 1468978
ethyl 1-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxylate
CID 1462076
3-(4-methoxyphenyl)-7-[4-(4-nitrophenyl)piperazin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 3219872

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 1462179) is [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)c1.
What is the InChIKey of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is FNCXLEDLSIZTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-32-18-11-16(12-19(13-18)33-2)24(31)30-9-7-29(8-10-30)23-22-21(26-14-27-23)20(28-34-22)15-3-5-17(25)6-4-15/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 495.99 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 1462179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).