N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine

C13H15N3OS — CID 79781522

IUPACN-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1nc(COc2ccc(CNC3CC3)nc2)cs1
InChIInChI=1S/C13H15N3OS/c1-2-10(1)14-5-11-3-4-13(6-15-11)17-7-12-8-18-9-16-12/h3-4,6,8-10,14H,1-2,5,7H2
InChIKeyPFQUKQQAYFOEQT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.37
Rot. Bonds6

About N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79781522) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79781522
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1nc(COc2ccc(CNC3CC3)nc2)cs1
InChIInChI=1S/C13H15N3OS/c1-2-10(1)14-5-11-3-4-13(6-15-11)17-7-12-8-18-9-16-12/h3-4,6,8-10,14H,1-2,5,7H2
InChIKeyPFQUKQQAYFOEQT-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
N-[[5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783252
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 107041521
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 79781522) is N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine is c1nc(COc2ccc(CNC3CC3)nc2)cs1.
What is the InChIKey of N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PFQUKQQAYFOEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-10(1)14-5-11-3-4-13(6-15-11)17-7-12-8-18-9-16-12/h3-4,6,8-10,14H,1-2,5,7H2.
What are the key properties of N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 261.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79781522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).