5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine

C17H20FN7S — CID 142415480

IUPAC5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine
SMILESC=C(C)Nc1ncc(CN2CC(c3cc(C(C)F)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20FN7S/c1-10(2)22-17-19-5-13(26-17)8-24-6-12(7-24)15-4-14(11(3)18)23-16-20-9-21-25(15)16/h4-5,9,11-12H,1,6-8H2,2-3H3,(H,19,22)
InChIKeyDWVDVGHRZGICCV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.16
Rot. Bonds6

About 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine

5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine (PubChem CID 142415480) has the molecular formula C17H20FN7S and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine
PubChem CID142415480
Molecular FormulaC17H20FN7S
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine
SMILESC=C(C)Nc1ncc(CN2CC(c3cc(C(C)F)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20FN7S/c1-10(2)22-17-19-5-13(26-17)8-24-6-12(7-24)15-4-14(11(3)18)23-16-20-9-21-25(15)16/h4-5,9,11-12H,1,6-8H2,2-3H3,(H,19,22)
InChIKeyDWVDVGHRZGICCV-UHFFFAOYSA-N
XLogP3.16
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine (CID 142415480) is 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine is C=C(C)Nc1ncc(CN2CC(c3cc(C(C)F)nc4ncnn34)C2)s1.
What is the InChIKey of 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine?
The InChIKey is DWVDVGHRZGICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7S/c1-10(2)22-17-19-5-13(26-17)8-24-6-12(7-24)15-4-14(11(3)18)23-16-20-9-21-25(15)16/h4-5,9,11-12H,1,6-8H2,2-3H3,(H,19,22).
What are the key properties of 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine?
5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine has a molecular weight of 373.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(1-fluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]azetidin-1-yl]methyl]-N-prop-1-en-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 142415480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).