[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol

C12H14F3N3OS — CID 145385952

IUPAC[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol
SMILESC=N/C(=C\SCO)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C12H14F3N3OS/c1-16-8(6-20-7-19)10-11(12(13,14)15)17-9-4-2-3-5-18(9)10/h6,19H,1-5,7H2/b8-6-
InChIKeyMPONCIDILCLAQQ-VURMDHGXSA-N
MW305.33 g/mol
LogP2.92
Rot. Bonds4

About [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol

[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol (PubChem CID 145385952) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol.

Molecular Properties

Compound Name[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol
PubChem CID145385952
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Name[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol
SMILESC=N/C(=C\SCO)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C12H14F3N3OS/c1-16-8(6-20-7-19)10-11(12(13,14)15)17-9-4-2-3-5-18(9)10/h6,19H,1-5,7H2/b8-6-
InChIKeyMPONCIDILCLAQQ-VURMDHGXSA-N
XLogP2.92
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol?
The IUPAC name of [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol (CID 145385952) is [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol.
What is the SMILES notation for [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol?
The canonical SMILES for [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol is C=N/C(=C\SCO)c1c(C(F)(F)F)nc2n1CCCC2.
What is the InChIKey of [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol?
The InChIKey is MPONCIDILCLAQQ-VURMDHGXSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c1-16-8(6-20-7-19)10-11(12(13,14)15)17-9-4-2-3-5-18(9)10/h6,19H,1-5,7H2/b8-6-.
What are the key properties of [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol?
[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol has a molecular weight of 305.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol is sourced from PubChem (CID 145385952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).