N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine

C20H27N3O2S — CID 164640702

IUPACN-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1cc(CN(Cc2csc([C@@H]3CCCO3)n2)C2CC2)ccn1
InChIInChI=1S/C20H27N3O2S/c1-14(2)25-19-10-15(7-8-21-19)11-23(17-5-6-17)12-16-13-26-20(22-16)18-4-3-9-24-18/h7-8,10,13-14,17-18H,3-6,9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyFTLPSMAXZNRREA-SFHVURJKSA-N
MW373.52 g/mol
LogP4.34
Rot. Bonds8

About N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine

N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine (PubChem CID 164640702) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine
PubChem CID164640702
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine
SMILESCC(C)Oc1cc(CN(Cc2csc([C@@H]3CCCO3)n2)C2CC2)ccn1
InChIInChI=1S/C20H27N3O2S/c1-14(2)25-19-10-15(7-8-21-19)11-23(17-5-6-17)12-16-13-26-20(22-16)18-4-3-9-24-18/h7-8,10,13-14,17-18H,3-6,9,11-12H2,1-2H3/t18-/m0/s1
InChIKeyFTLPSMAXZNRREA-SFHVURJKSA-N
XLogP4.34
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine (CID 164640702) is N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine is CC(C)Oc1cc(CN(Cc2csc([C@@H]3CCCO3)n2)C2CC2)ccn1.
What is the InChIKey of N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine?
The InChIKey is FTLPSMAXZNRREA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)25-19-10-15(7-8-21-19)11-23(17-5-6-17)12-16-13-26-20(22-16)18-4-3-9-24-18/h7-8,10,13-14,17-18H,3-6,9,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine?
N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine has a molecular weight of 373.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 164640702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).