N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C21H26F3N5S — CID 126890946

IUPACN-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)CCCC4)CC2)ncn1
InChIInChI=1S/C21H26F3N5S/c22-21(23,24)18-11-19(26-13-25-18)29(14-5-6-14)15-7-9-28(10-8-15)12-20-27-16-3-1-2-4-17(16)30-20/h11,13-15H,1-10,12H2
InChIKeyMHPWCAABOCWOHF-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.46
Rot. Bonds5

About N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890946) has the molecular formula C21H26F3N5S and a molecular weight of 437.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890946
Molecular FormulaC21H26F3N5S
Molecular Weight437.54 g/mol
Exact Mass437.19
IUPAC NameN-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)CCCC4)CC2)ncn1
InChIInChI=1S/C21H26F3N5S/c22-21(23,24)18-11-19(26-13-25-18)29(14-5-6-14)15-7-9-28(10-8-15)12-20-27-16-3-1-2-4-17(16)30-20/h11,13-15H,1-10,12H2
InChIKeyMHPWCAABOCWOHF-UHFFFAOYSA-N
XLogP4.46
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890946) is N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nc4c(s3)CCCC4)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MHPWCAABOCWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5S/c22-21(23,24)18-11-19(26-13-25-18)29(14-5-6-14)15-7-9-28(10-8-15)12-20-27-16-3-1-2-4-17(16)30-20/h11,13-15H,1-10,12H2.
What are the key properties of N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 437.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).