6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine

C16H19FN6S — CID 58303564

IUPAC6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCCc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1
InChIInChI=1S/C16H19FN6S/c1-2-11-9-23-14(7-20-16(23)24-11)13-6-19-8-15(22-13)21-12-5-18-4-10(12)3-17/h6-10,12,18H,2-5H2,1H3,(H,21,22)/t10-,12+/m1/s1
InChIKeyOVKXIZCETJXJJZ-PWSUYJOCSA-N
MW346.44 g/mol
LogP2.38
Rot. Bonds5

About 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine

6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 58303564) has the molecular formula C16H19FN6S and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID58303564
Molecular FormulaC16H19FN6S
Molecular Weight346.44 g/mol
Exact Mass346.14
IUPAC Name6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCCc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1
InChIInChI=1S/C16H19FN6S/c1-2-11-9-23-14(7-20-16(23)24-11)13-6-19-8-15(22-13)21-12-5-18-4-10(12)3-17/h6-10,12,18H,2-5H2,1H3,(H,21,22)/t10-,12+/m1/s1
InChIKeyOVKXIZCETJXJJZ-PWSUYJOCSA-N
XLogP2.38
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine (CID 58303564) is 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine is CCc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1.
What is the InChIKey of 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is OVKXIZCETJXJJZ-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H19FN6S/c1-2-11-9-23-14(7-20-16(23)24-11)13-6-19-8-15(22-13)21-12-5-18-4-10(12)3-17/h6-10,12,18H,2-5H2,1H3,(H,21,22)/t10-,12+/m1/s1.
What are the key properties of 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine?
6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 58303564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).