N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C14H17N3S — CID 82740689

IUPACN-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cccnc1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C14H17N3S/c1-2-10-4-3-7-15-13(10)14-17-12(9-18-14)8-16-11-5-6-11/h3-4,7,9,11,16H,2,5-6,8H2,1H3
InChIKeyBHBHBWADTWOCGB-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.02
Rot. Bonds5

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

N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 82740689) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID82740689
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCc1cccnc1-c1nc(CNC2CC2)cs1
InChIInChI=1S/C14H17N3S/c1-2-10-4-3-7-15-13(10)14-17-12(9-18-14)8-16-11-5-6-11/h3-4,7,9,11,16H,2,5-6,8H2,1H3
InChIKeyBHBHBWADTWOCGB-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 82740689) is N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CCc1cccnc1-c1nc(CNC2CC2)cs1.
What is the InChIKey of N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BHBHBWADTWOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-10-4-3-7-15-13(10)14-17-12(9-18-14)8-16-11-5-6-11/h3-4,7,9,11,16H,2,5-6,8H2,1H3.
What are the key properties of N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 259.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82740689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).