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

C20H24F3N5OS — CID 126890945

IUPACN-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C20H24F3N5OS/c21-20(22,23)17-9-18(25-12-24-17)28(13-1-2-13)14-3-6-27(7-4-14)10-19-26-15-5-8-29-11-16(15)30-19/h9,12-14H,1-8,10-11H2
InChIKeyORDOTIYKFVDVPJ-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.66
Rot. Bonds5

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

N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890945) has the molecular formula C20H24F3N5OS and a molecular weight of 439.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890945
Molecular FormulaC20H24F3N5OS
Molecular Weight439.51 g/mol
Exact Mass439.17
IUPAC NameN-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C20H24F3N5OS/c21-20(22,23)17-9-18(25-12-24-17)28(13-1-2-13)14-3-6-27(7-4-14)10-19-26-15-5-8-29-11-16(15)30-19/h9,12-14H,1-8,10-11H2
InChIKeyORDOTIYKFVDVPJ-UHFFFAOYSA-N
XLogP3.66
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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
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
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
N-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889004
N-methyl-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126889089
N,6-dimethyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889438

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890945) is N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ORDOTIYKFVDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5OS/c21-20(22,23)17-9-18(25-12-24-17)28(13-1-2-13)14-3-6-27(7-4-14)10-19-26-15-5-8-29-11-16(15)30-19/h9,12-14H,1-8,10-11H2.
What are the key properties of N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 439.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).