tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C23H27N5O3S — CID 10434072

IUPACtert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1
InChIInChI=1S/C23H27N5O3S/c1-23(2,3)31-22(29)28-11-9-17(10-12-28)30-20-13-19(25-15-26-20)27-21-24-14-18(32-21)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,24,25,26,27)
InChIKeyGGQVSBIYMNPDJT-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.12
Rot. Bonds5

About tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 10434072) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID10434072
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Nametert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1
InChIInChI=1S/C23H27N5O3S/c1-23(2,3)31-22(29)28-11-9-17(10-12-28)30-20-13-19(25-15-26-20)27-21-24-14-18(32-21)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,24,25,26,27)
InChIKeyGGQVSBIYMNPDJT-UHFFFAOYSA-N
XLogP5.12
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

Propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 58016984
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355957
Propan-2-yl 4-[6-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57571091
1,1,1-Trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67249640
2-Tert-butyl-3-fluoro-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 67262201
Tert-butyl 3-fluoro-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67431247
(1-Methylcyclopropyl) 9-[5-fluoro-6-[2-fluoro-4-(1,3-thiazol-2-yl)anilino]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 68037187
(1-Methylcyclopropyl) 9-[5-fluoro-6-[2-fluoro-4-(1,3-thiazol-5-yl)anilino]pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 68037188
1-[4-[2-[3-Amino-5-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxypiperidin-1-yl]-2,2,2-trifluoroethanone
CID 87397993
4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
CID 87770282
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 137355958
4-[6-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 153797236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 10434072) is tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cc(Nc3ncc(-c4ccccc4)s3)ncn2)CC1.
What is the InChIKey of tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is GGQVSBIYMNPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-23(2,3)31-22(29)28-11-9-17(10-12-28)30-20-13-19(25-15-26-20)27-21-24-14-18(32-21)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,24,25,26,27).
What are the key properties of tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 453.57 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 10434072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).