N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide

C25H28N8OS — CID 121360797

IUPACN-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2nnc(C)s2)CC1
InChIInChI=1S/C25H28N8OS/c1-15(34)28-20-7-9-21(10-8-20)29-24-22(25-32-31-16(2)35-25)13-26-23(30-24)18-6-4-5-17(11-18)19-12-27-33(3)14-19/h4-6,11-14,20-21H,7-10H2,1-3H3,(H,28,34)(H,26,29,30)
InChIKeyYCDWHIJZUUZCMW-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.23
Rot. Bonds6

About N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide

N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide (PubChem CID 121360797) has the molecular formula C25H28N8OS and a molecular weight of 488.62 g/mol. Its IUPAC name is N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide
PubChem CID121360797
Molecular FormulaC25H28N8OS
Molecular Weight488.62 g/mol
Exact Mass488.21
IUPAC NameN-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2nnc(C)s2)CC1
InChIInChI=1S/C25H28N8OS/c1-15(34)28-20-7-9-21(10-8-20)29-24-22(25-32-31-16(2)35-25)13-26-23(30-24)18-6-4-5-17(11-18)19-12-27-33(3)14-19/h4-6,11-14,20-21H,7-10H2,1-3H3,(H,28,34)(H,26,29,30)
InChIKeyYCDWHIJZUUZCMW-UHFFFAOYSA-N
XLogP4.23
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

CID 135355929
CID 135355929
CID 72943654
CID 72943654
CID 162652385
CID 162652385
CID 121357831
CID 121357831
CID 121357892
CID 121357892
CID 121357896
CID 121357896
CID 121357908
CID 121357908
CID 121357910
CID 121357910
CID 86721848
CID 86721848
CID 121347708
CID 121347708
CID 121347733
CID 121347733
CID 121347739
CID 121347739

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide (CID 121360797) is N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2nc(-c3cccc(-c4cnn(C)c4)c3)ncc2-c2nnc(C)s2)CC1.
What is the InChIKey of N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The InChIKey is YCDWHIJZUUZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8OS/c1-15(34)28-20-7-9-21(10-8-20)29-24-22(25-32-31-16(2)35-25)13-26-23(30-24)18-6-4-5-17(11-18)19-12-27-33(3)14-19/h4-6,11-14,20-21H,7-10H2,1-3H3,(H,28,34)(H,26,29,30).
What are the key properties of N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide?
N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide has a molecular weight of 488.62 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 121360797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).