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

C13H15N3S — CID 113469745

IUPACN-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1csc(Cc2cncc(CNC3CC3)c2)n1
InChIInChI=1S/C13H15N3S/c1-2-12(1)16-9-11-5-10(7-14-8-11)6-13-15-3-4-17-13/h3-5,7-8,12,16H,1-2,6,9H2
InChIKeyKMBSNFGDIIMTKU-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.38
Rot. Bonds5

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

N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 113469745) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID113469745
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1csc(Cc2cncc(CNC3CC3)c2)n1
InChIInChI=1S/C13H15N3S/c1-2-12(1)16-9-11-5-10(7-14-8-11)6-13-15-3-4-17-13/h3-5,7-8,12,16H,1-2,6,9H2
InChIKeyKMBSNFGDIIMTKU-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine (CID 113469745) is N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine is c1csc(Cc2cncc(CNC3CC3)c2)n1.
What is the InChIKey of N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KMBSNFGDIIMTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-12(1)16-9-11-5-10(7-14-8-11)6-13-15-3-4-17-13/h3-5,7-8,12,16H,1-2,6,9H2.
What are the key properties of N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 245.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-thiazol-2-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 113469745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).