4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine

C10H14F3N3S — CID 103363234

IUPAC4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3S/c1-6-8(14)15-17-9(6)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3,(H2,14,15)
InChIKeySEAIPLGIKRAGIH-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.81
Rot. Bonds1

About 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine

4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363234) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363234
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3S/c1-6-8(14)15-17-9(6)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3,(H2,14,15)
InChIKeySEAIPLGIKRAGIH-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363234) is 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is SEAIPLGIKRAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-8(14)15-17-9(6)16-4-2-7(3-5-16)10(11,12)13/h7H,2-5H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 265.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).