N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C17H26FN5S — CID 167989461

IUPACN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCn1ccnc1
InChIInChI=1S/C17H26FN5S/c1-14-17(24-13-20-14)11-23-9-15(18)8-16(23)10-21(2)5-3-6-22-7-4-19-12-22/h4,7,12-13,15-16H,3,5-6,8-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyOULUQXJENPANCO-HOTGVXAUSA-N
MW351.50 g/mol
LogP2.58
Rot. Bonds8

About N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 167989461) has the molecular formula C17H26FN5S and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID167989461
Molecular FormulaC17H26FN5S
Molecular Weight351.50 g/mol
Exact Mass351.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCn1ccnc1
InChIInChI=1S/C17H26FN5S/c1-14-17(24-13-20-14)11-23-9-15(18)8-16(23)10-21(2)5-3-6-22-7-4-19-12-22/h4,7,12-13,15-16H,3,5-6,8-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyOULUQXJENPANCO-HOTGVXAUSA-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

Analyze N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 167989461) is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCn1ccnc1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is OULUQXJENPANCO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26FN5S/c1-14-17(24-13-20-14)11-23-9-15(18)8-16(23)10-21(2)5-3-6-22-7-4-19-12-22/h4,7,12-13,15-16H,3,5-6,8-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 167989461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).