N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C17H26FN5S — CID 154753862

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CCCn2ccnc2)cs1
InChIInChI=1S/C17H26FN5S/c1-14-20-16(12-24-14)10-23-9-15(18)8-17(23)11-21(2)5-3-6-22-7-4-19-13-22/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t15-,17-/m0/s1
InChIKeySFUUSJPYDSCFGY-RDJZCZTQSA-N
MW351.50 g/mol
LogP2.58
Rot. Bonds8

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 154753862) has the molecular formula C17H26FN5S and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID154753862
Molecular FormulaC17H26FN5S
Molecular Weight351.50 g/mol
Exact Mass351.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CCCn2ccnc2)cs1
InChIInChI=1S/C17H26FN5S/c1-14-20-16(12-24-14)10-23-9-15(18)8-17(23)11-21(2)5-3-6-22-7-4-19-13-22/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t15-,17-/m0/s1
InChIKeySFUUSJPYDSCFGY-RDJZCZTQSA-N
XLogP2.58
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-4-[[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 118746156
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
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2-(1-Ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
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CID 91829447
(2S)-4-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 95206783
4-[[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99825630
(2S)-1-(2-ethylimidazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
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(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
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(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 164633880
4-[[4-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 154753862) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CCCn2ccnc2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is SFUUSJPYDSCFGY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H26FN5S/c1-14-20-16(12-24-14)10-23-9-15(18)8-17(23)11-21(2)5-3-6-22-7-4-19-13-22/h4,7,12-13,15,17H,3,5-6,8-11H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine has a molecular weight of 351.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 154753862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).