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

C14H19N3S — CID 82738200

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
SMILESCCc1nc(CNCc2ncccc2CC)cs1
InChIInChI=1S/C14H19N3S/c1-3-11-6-5-7-16-13(11)9-15-8-12-10-18-14(4-2)17-12/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyIRALUYGJMPFMKN-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.95
Rot. Bonds6

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

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine (PubChem CID 82738200) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
PubChem CID82738200
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
SMILESCCc1nc(CNCc2ncccc2CC)cs1
InChIInChI=1S/C14H19N3S/c1-3-11-6-5-7-16-13(11)9-15-8-12-10-18-14(4-2)17-12/h5-7,10,15H,3-4,8-9H2,1-2H3
InChIKeyIRALUYGJMPFMKN-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine (CID 82738200) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine is CCc1nc(CNCc2ncccc2CC)cs1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is IRALUYGJMPFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-11-6-5-7-16-13(11)9-15-8-12-10-18-14(4-2)17-12/h5-7,10,15H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 82738200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).