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

C15H17FN6S — CID 58303502

IUPACN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
SMILESCc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1
InChIInChI=1S/C15H17FN6S/c1-9-8-22-13(6-19-15(22)23-9)12-5-18-7-14(21-12)20-11-4-17-3-10(11)2-16/h5-8,10-11,17H,2-4H2,1H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyRLQMKJYULFDKBJ-MNOVXSKESA-N
MW332.41 g/mol
LogP2.13
Rot. Bonds4

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

N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine (PubChem CID 58303502) has the molecular formula C15H17FN6S and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
PubChem CID58303502
Molecular FormulaC15H17FN6S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC NameN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine
SMILESCc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1
InChIInChI=1S/C15H17FN6S/c1-9-8-22-13(6-19-15(22)23-9)12-5-18-7-14(21-12)20-11-4-17-3-10(11)2-16/h5-8,10-11,17H,2-4H2,1H3,(H,20,21)/t10-,11+/m1/s1
InChIKeyRLQMKJYULFDKBJ-MNOVXSKESA-N
XLogP2.13
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine (CID 58303502) is N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine is Cc1cn2c(-c3cncc(N[C@H]4CNC[C@H]4CF)n3)cnc2s1.
What is the InChIKey of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
The InChIKey is RLQMKJYULFDKBJ-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17FN6S/c1-9-8-22-13(6-19-15(22)23-9)12-5-18-7-14(21-12)20-11-4-17-3-10(11)2-16/h5-8,10-11,17H,2-4H2,1H3,(H,20,21)/t10-,11+/m1/s1.
What are the key properties of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine?
N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 58303502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).