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

C22H26N6OS — CID 1462046

IUPACN-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C22H26N6OS/c29-22(25-17-9-5-2-6-10-17)28-13-11-27(12-14-28)21-20-19(23-15-24-21)18(26-30-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,25,29)
InChIKeyDHLJZXQAXMDCPE-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.92
Rot. Bonds3

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

N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 1462046) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID1462046
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC NameN-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C22H26N6OS/c29-22(25-17-9-5-2-6-10-17)28-13-11-27(12-14-28)21-20-19(23-15-24-21)18(26-30-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,25,29)
InChIKeyDHLJZXQAXMDCPE-UHFFFAOYSA-N
XLogP3.92
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 3299993
7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
CID 1462034
1-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperidin-4-ol
CID 1462037
2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol
CID 136557228
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
1-[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]propan-1-one
CID 1462182
7-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
CID 7406402
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757393
7-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
CID 6986368
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
[4-[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 24792297

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (CID 1462046) is N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1.
What is the InChIKey of N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is DHLJZXQAXMDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c29-22(25-17-9-5-2-6-10-17)28-13-11-27(12-14-28)21-20-19(23-15-24-21)18(26-30-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,25,29).
What are the key properties of N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 1462046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).