1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine

C16H19FN6S — CID 154753611

IUPAC1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESF[C@H]1C[C@@H](CNCc2cnc3cnccn23)N(Cc2nccs2)C1
InChIInChI=1S/C16H19FN6S/c17-12-5-13(22(10-12)11-16-20-2-4-24-16)6-19-7-14-8-21-15-9-18-1-3-23(14)15/h1-4,8-9,12-13,19H,5-7,10-11H2/t12-,13-/m0/s1
InChIKeyGFXJUJDNLZZSEU-STQMWFEESA-N
MW346.44 g/mol
LogP1.89
Rot. Bonds6

About 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine

1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (PubChem CID 154753611) has the molecular formula C16H19FN6S and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
PubChem CID154753611
Molecular FormulaC16H19FN6S
Molecular Weight346.44 g/mol
Exact Mass346.14
IUPAC Name1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESF[C@H]1C[C@@H](CNCc2cnc3cnccn23)N(Cc2nccs2)C1
InChIInChI=1S/C16H19FN6S/c17-12-5-13(22(10-12)11-16-20-2-4-24-16)6-19-7-14-8-21-15-9-18-1-3-23(14)15/h1-4,8-9,12-13,19H,5-7,10-11H2/t12-,13-/m0/s1
InChIKeyGFXJUJDNLZZSEU-STQMWFEESA-N
XLogP1.89
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70776889
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
1-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915213
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 119141274
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119141275
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128972677
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 128972915
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
CID 128974168
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 128991979
N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129006825
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129334472
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129334473

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (CID 154753611) is 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is F[C@H]1C[C@@H](CNCc2cnc3cnccn23)N(Cc2nccs2)C1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The InChIKey is GFXJUJDNLZZSEU-STQMWFEESA-N. The full InChI is InChI=1S/C16H19FN6S/c17-12-5-13(22(10-12)11-16-20-2-4-24-16)6-19-7-14-8-21-15-9-18-1-3-23(14)15/h1-4,8-9,12-13,19H,5-7,10-11H2/t12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine has a molecular weight of 346.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is sourced from PubChem (CID 154753611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).