[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C16H18F3N5OS — CID 35054993

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N5OS/c1-10-13(14(20-2)26-22-10)15(25)24-7-5-23(6-8-24)12-4-3-11(9-21-12)16(17,18)19/h3-4,9,20H,5-8H2,1-2H3
InChIKeyRUCFGUQKBZSHNW-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.87
Rot. Bonds3

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 35054993) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID35054993
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H18F3N5OS/c1-10-13(14(20-2)26-22-10)15(25)24-7-5-23(6-8-24)12-4-3-11(9-21-12)16(17,18)19/h3-4,9,20H,5-8H2,1-2H3
InChIKeyRUCFGUQKBZSHNW-UHFFFAOYSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 35054993) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CNc1snc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is RUCFGUQKBZSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-10-13(14(20-2)26-22-10)15(25)24-7-5-23(6-8-24)12-4-3-11(9-21-12)16(17,18)19/h3-4,9,20H,5-8H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 385.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35054993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).