1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]

C23H30F3N7OS — CID 172575318

IUPAC1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]
SMILESC[C@@H]1[C@H](N2CCNCC2)CN1c1cc(N2CCC3(CC2)OCCc2ncsc23)nc(C(F)(F)F)n1
InChIInChI=1S/C23H30F3N7OS/c1-15-17(31-9-5-27-6-10-31)13-33(15)19-12-18(29-21(30-19)23(24,25)26)32-7-3-22(4-8-32)20-16(2-11-34-22)28-14-35-20/h12,14-15,17,27H,2-11,13H2,1H3/t15-,17-/m1/s1
InChIKeyUGZIINUUFPXSCU-NVXWUHKLSA-N
MW509.60 g/mol
LogP2.50
Rot. Bonds3

About 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]

1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] (PubChem CID 172575318) has the molecular formula C23H30F3N7OS and a molecular weight of 509.60 g/mol. Its IUPAC name is 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]
PubChem CID172575318
Molecular FormulaC23H30F3N7OS
Molecular Weight509.60 g/mol
Exact Mass509.22
IUPAC Name1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]
SMILESC[C@@H]1[C@H](N2CCNCC2)CN1c1cc(N2CCC3(CC2)OCCc2ncsc23)nc(C(F)(F)F)n1
InChIInChI=1S/C23H30F3N7OS/c1-15-17(31-9-5-27-6-10-31)13-33(15)19-12-18(29-21(30-19)23(24,25)26)32-7-3-22(4-8-32)20-16(2-11-34-22)28-14-35-20/h12,14-15,17,27H,2-11,13H2,1H3/t15-,17-/m1/s1
InChIKeyUGZIINUUFPXSCU-NVXWUHKLSA-N
XLogP2.50
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] 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

tert-butyl 4-[(2R,3R)-2-methyl-1-[6-spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]-1'-yl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazine-1-carboxylate
CID 172575357
1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[4H-furo[3,4-d][1,3]thiazole-6,4'-piperidine]
CID 172575412
1-[4-[(2R,3R)-2-methyl-1-[6-spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]-1'-yl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 172575459
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889774
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889855

Frequently Asked Questions

What is the IUPAC name of 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]?
The IUPAC name of 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] (CID 172575318) is 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine].
What is the SMILES notation for 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]?
The canonical SMILES for 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] is C[C@@H]1[C@H](N2CCNCC2)CN1c1cc(N2CCC3(CC2)OCCc2ncsc23)nc(C(F)(F)F)n1.
What is the InChIKey of 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]?
The InChIKey is UGZIINUUFPXSCU-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H30F3N7OS/c1-15-17(31-9-5-27-6-10-31)13-33(15)19-12-18(29-21(30-19)23(24,25)26)32-7-3-22(4-8-32)20-16(2-11-34-22)28-14-35-20/h12,14-15,17,27H,2-11,13H2,1H3/t15-,17-/m1/s1.
What are the key properties of 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine]?
1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] has a molecular weight of 509.60 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-[(2R,3R)-2-methyl-3-piperazin-1-ylazetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]spiro[6,7-dihydropyrano[4,3-d][1,3]thiazole-4,4'-piperidine] is sourced from PubChem (CID 172575318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).