methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine

C17H21F3N6S2 — CID 153330896

IUPACmethylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESCSC.NC1CCCN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C15H15F3N6S.C2H6S/c16-15(17,18)11-8-24-10(6-21-14(24)25-11)13-20-4-3-12(22-13)23-5-1-2-9(19)7-23;1-3-2/h3-4,6,8-9H,1-2,5,7,19H2;1-2H3
InChIKeyPLWFYCMEEOOIPX-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.78
Rot. Bonds2

About methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine

methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine (PubChem CID 153330896) has the molecular formula C17H21F3N6S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Namemethylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine
PubChem CID153330896
Molecular FormulaC17H21F3N6S2
Molecular Weight430.53 g/mol
Exact Mass430.12
IUPAC Namemethylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESCSC.NC1CCCN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C15H15F3N6S.C2H6S/c16-15(17,18)11-8-24-10(6-21-14(24)25-11)13-20-4-3-12(22-13)23-5-1-2-9(19)7-23;1-3-2/h3-4,6,8-9H,1-2,5,7,19H2;1-2H3
InChIKeyPLWFYCMEEOOIPX-UHFFFAOYSA-N
XLogP3.78
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine (CID 153330896) is methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine is CSC.NC1CCCN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is PLWFYCMEEOOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6S.C2H6S/c16-15(17,18)11-8-24-10(6-21-14(24)25-11)13-20-4-3-12(22-13)23-5-1-2-9(19)7-23;1-3-2/h3-4,6,8-9H,1-2,5,7,19H2;1-2H3.
What are the key properties of methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine?
methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 430.53 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 153330896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).