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

C17H21FN6S — CID 66670575

IUPACN-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
SMILESCC(C)c1cn2c(-c3cncc(N[C@H]4CNC[C@@H]4CF)n3)cnc2s1
InChIInChI=1S/C17H21FN6S/c1-10(2)15-9-24-14(7-21-17(24)25-15)13-6-20-8-16(23-13)22-12-5-19-4-11(12)3-18/h6-12,19H,3-5H2,1-2H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyUOVPKWRGUCGSOZ-RYUDHWBXSA-N
MW360.46 g/mol
LogP2.95
Rot. Bonds5

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

N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine (PubChem CID 66670575) has the molecular formula C17H21FN6S and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
PubChem CID66670575
Molecular FormulaC17H21FN6S
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC NameN-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
SMILESCC(C)c1cn2c(-c3cncc(N[C@H]4CNC[C@@H]4CF)n3)cnc2s1
InChIInChI=1S/C17H21FN6S/c1-10(2)15-9-24-14(7-21-17(24)25-15)13-6-20-8-16(23-13)22-12-5-19-4-11(12)3-18/h6-12,19H,3-5H2,1-2H3,(H,22,23)/t11-,12-/m0/s1
InChIKeyUOVPKWRGUCGSOZ-RYUDHWBXSA-N
XLogP2.95
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine (CID 66670575) is N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine is CC(C)c1cn2c(-c3cncc(N[C@H]4CNC[C@@H]4CF)n3)cnc2s1.
What is the InChIKey of N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The InChIKey is UOVPKWRGUCGSOZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21FN6S/c1-10(2)15-9-24-14(7-21-17(24)25-15)13-6-20-8-16(23-13)22-12-5-19-4-11(12)3-18/h6-12,19H,3-5H2,1-2H3,(H,22,23)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 66670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).