2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

C22H31N5OS — CID 110095213

IUPAC2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C22H31N5OS/c1-15-14-23-22(29-15)26-20-13-19(24-16(2)25-20)18-8-10-27(11-9-18)21(28)12-17-6-4-3-5-7-17/h13-14,17-18H,3-12H2,1-2H3,(H,23,24,25,26)
InChIKeyVHSYWRMILQFDFG-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.97
Rot. Bonds5

About 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110095213) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110095213
Molecular FormulaC22H31N5OS
Molecular Weight413.59 g/mol
Exact Mass413.22
IUPAC Name2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C22H31N5OS/c1-15-14-23-22(29-15)26-20-13-19(24-16(2)25-20)18-8-10-27(11-9-18)21(28)12-17-6-4-3-5-7-17/h13-14,17-18H,3-12H2,1-2H3,(H,23,24,25,26)
InChIKeyVHSYWRMILQFDFG-UHFFFAOYSA-N
XLogP4.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110095213) is 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is VHSYWRMILQFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c1-15-14-23-22(29-15)26-20-13-19(24-16(2)25-20)18-8-10-27(11-9-18)21(28)12-17-6-4-3-5-7-17/h13-14,17-18H,3-12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 413.59 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110095213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).