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

C18H31FN4OS — CID 128973374

IUPACN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCN1CCOCC1
InChIInChI=1S/C18H31FN4OS/c1-15-18(25-14-20-15)13-23-11-16(19)10-17(23)12-21(2)4-3-5-22-6-8-24-9-7-22/h14,16-17H,3-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyOCUKEKKPDRFDBR-IRXDYDNUSA-N
MW370.54 g/mol
LogP2.02
Rot. Bonds8

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

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 128973374) has the molecular formula C18H31FN4OS and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID128973374
Molecular FormulaC18H31FN4OS
Molecular Weight370.54 g/mol
Exact Mass370.22
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCN1CCOCC1
InChIInChI=1S/C18H31FN4OS/c1-15-18(25-14-20-15)13-23-11-16(19)10-17(23)12-21(2)4-3-5-22-6-8-24-9-7-22/h14,16-17H,3-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyOCUKEKKPDRFDBR-IRXDYDNUSA-N
XLogP2.02
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 128973374) is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-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]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCN1CCOCC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is OCUKEKKPDRFDBR-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H31FN4OS/c1-15-18(25-14-20-15)13-23-11-16(19)10-17(23)12-21(2)4-3-5-22-6-8-24-9-7-22/h14,16-17H,3-13H2,1-2H3/t16-,17-/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]-N-methyl-3-morpholin-4-ylpropan-1-amine?
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 370.54 g/mol, XLogP of 2.02, 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]-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 128973374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).