N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H19F3N6S — CID 126890868

IUPACN-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nsc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C16H19F3N6S/c1-10-22-15(26-23-10)24-6-4-12(5-7-24)25(11-2-3-11)14-8-13(16(17,18)19)20-9-21-14/h8-9,11-12H,2-7H2,1H3
InChIKeyZHASBWFUQRCHLD-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.29
Rot. Bonds4

About N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890868) has the molecular formula C16H19F3N6S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890868
Molecular FormulaC16H19F3N6S
Molecular Weight384.43 g/mol
Exact Mass384.13
IUPAC NameN-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nsc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1
InChIInChI=1S/C16H19F3N6S/c1-10-22-15(26-23-10)24-6-4-12(5-7-24)25(11-2-3-11)14-8-13(16(17,18)19)20-9-21-14/h8-9,11-12H,2-7H2,1H3
InChIKeyZHASBWFUQRCHLD-UHFFFAOYSA-N
XLogP3.29
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890868) is N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nsc(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZHASBWFUQRCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6S/c1-10-22-15(26-23-10)24-6-4-12(5-7-24)25(11-2-3-11)14-8-13(16(17,18)19)20-9-21-14/h8-9,11-12H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 384.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).