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

C14H15FN6S — CID 58303462

IUPACN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine
SMILESFC[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3sccn23)n1
InChIInChI=1S/C14H15FN6S/c15-3-9-4-16-5-10(9)19-13-8-17-6-11(20-13)12-7-18-14-21(12)1-2-22-14/h1-2,6-10,16H,3-5H2,(H,19,20)/t9-,10+/m1/s1
InChIKeyHNEIHHHUWXPDRU-ZJUUUORDSA-N
MW318.38 g/mol
LogP1.82
Rot. Bonds4

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

N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine (PubChem CID 58303462) has the molecular formula C14H15FN6S and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine
PubChem CID58303462
Molecular FormulaC14H15FN6S
Molecular Weight318.38 g/mol
Exact Mass318.11
IUPAC NameN-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine
SMILESFC[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3sccn23)n1
InChIInChI=1S/C14H15FN6S/c15-3-9-4-16-5-10(9)19-13-8-17-6-11(20-13)12-7-18-14-21(12)1-2-22-14/h1-2,6-10,16H,3-5H2,(H,19,20)/t9-,10+/m1/s1
InChIKeyHNEIHHHUWXPDRU-ZJUUUORDSA-N
XLogP1.82
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.82
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-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine?
The IUPAC name of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine (CID 58303462) is N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine.
What is the SMILES notation for N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine?
The canonical SMILES for N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine is FC[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3sccn23)n1.
What is the InChIKey of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine?
The InChIKey is HNEIHHHUWXPDRU-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H15FN6S/c15-3-9-4-16-5-10(9)19-13-8-17-6-11(20-13)12-7-18-14-21(12)1-2-22-14/h1-2,6-10,16H,3-5H2,(H,19,20)/t9-,10+/m1/s1.
What are the key properties of N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine?
N-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-6-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 1.82, 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-imidazo[2,1-b][1,3]thiazol-5-ylpyrazin-2-amine is sourced from PubChem (CID 58303462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).