N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide

C23H28N6O2S — CID 3299993

IUPACN-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2nsc3c(N4CCN(C(=O)NC5CCCCC5)CC4)ncnc23)cc1
InChIInChI=1S/C23H28N6O2S/c1-31-18-9-7-16(8-10-18)19-20-21(32-27-19)22(25-15-24-20)28-11-13-29(14-12-28)23(30)26-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,26,30)
InChIKeyHSDLIZUWQYITDQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.93
Rot. Bonds4

About N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide

N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide (PubChem CID 3299993) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
PubChem CID3299993
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC NameN-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2nsc3c(N4CCN(C(=O)NC5CCCCC5)CC4)ncnc23)cc1
InChIInChI=1S/C23H28N6O2S/c1-31-18-9-7-16(8-10-18)19-20-21(32-27-19)22(25-15-24-20)28-11-13-29(14-12-28)23(30)26-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,26,30)
InChIKeyHSDLIZUWQYITDQ-UHFFFAOYSA-N
XLogP3.93
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide (CID 3299993) is N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide is COc1ccc(-c2nsc3c(N4CCN(C(=O)NC5CCCCC5)CC4)ncnc23)cc1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide?
The InChIKey is HSDLIZUWQYITDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-31-18-9-7-16(8-10-18)19-20-21(32-27-19)22(25-15-24-20)28-11-13-29(14-12-28)23(30)26-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,26,30).
What are the key properties of N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide?
N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 3299993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).