N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H18F3N5OS — CID 126889855

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)13-7-14(21-9-20-13)22-10-1-4-24(5-2-10)15-23-11-3-6-25-8-12(11)26-15/h7,9-10H,1-6,8H2,(H,20,21,22)
InChIKeyXLUJADDGJIZKKV-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889855) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889855
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)13-7-14(21-9-20-13)22-10-1-4-24(5-2-10)15-23-11-3-6-25-8-12(11)26-15/h7,9-10H,1-6,8H2,(H,20,21,22)
InChIKeyXLUJADDGJIZKKV-UHFFFAOYSA-N
XLogP3.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 136571636
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
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-cyclopropyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890945
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887325
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887409
6-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887749
6-methyl-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887833
6-methoxy-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888177
6-methoxy-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126888257
N4,N4-dimethyl-N6-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888592
N4,N4-dimethyl-N6-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888675

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889855) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(c3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XLUJADDGJIZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c17-16(18,19)13-7-14(21-9-20-13)22-10-1-4-24(5-2-10)15-23-11-3-6-25-8-12(11)26-15/h7,9-10H,1-6,8H2,(H,20,21,22).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 385.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).