N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine

C17H29FN4S — CID 120857673

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC2CCCNC2)cs1
InChIInChI=1S/C17H29FN4S/c1-13-20-16(12-23-13)10-22-9-15(18)6-17(22)11-21(2)8-14-4-3-5-19-7-14/h12,14-15,17,19H,3-11H2,1-2H3/t14?,15-,17-/m0/s1
InChIKeyNWJCADROYSWHAF-ZWBSKUQPSA-N
MW340.51 g/mol
LogP2.30
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 120857673) has the molecular formula C17H29FN4S and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID120857673
Molecular FormulaC17H29FN4S
Molecular Weight340.51 g/mol
Exact Mass340.21
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC2CCCNC2)cs1
InChIInChI=1S/C17H29FN4S/c1-13-20-16(12-23-13)10-22-9-15(18)6-17(22)11-21(2)8-14-4-3-5-19-7-14/h12,14-15,17,19H,3-11H2,1-2H3/t14?,15-,17-/m0/s1
InChIKeyNWJCADROYSWHAF-ZWBSKUQPSA-N
XLogP2.30
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine with MolForge

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
N'-{(3S*,4R*)-4-isopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72868098
[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 119030853
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 61295888
2-Cyclopropyl-4-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 86796294
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
2-Ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513522
2-Propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513624
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54913030
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856314

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]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 120857673) is N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC2CCCNC2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is NWJCADROYSWHAF-ZWBSKUQPSA-N. The full InChI is InChI=1S/C17H29FN4S/c1-13-20-16(12-23-13)10-22-9-15(18)6-17(22)11-21(2)8-14-4-3-5-19-7-14/h12,14-15,17,19H,3-11H2,1-2H3/t14?,15-,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]-N-methyl-1-piperidin-3-ylmethanamine?
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 340.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 120857673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).