N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H19N3OS — CID 114366269

IUPACN-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc(C)ccn2)nc1COC
InChIInChI=1S/C14H19N3OS/c1-4-15-8-13-12(9-18-3)17-14(19-13)11-7-10(2)5-6-16-11/h5-7,15H,4,8-9H2,1-3H3
InChIKeyBIQQGVRIMZRWLC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.77
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366269) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366269
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc(C)ccn2)nc1COC
InChIInChI=1S/C14H19N3OS/c1-4-15-8-13-12(9-18-3)17-14(19-13)11-7-10(2)5-6-16-11/h5-7,15H,4,8-9H2,1-3H3
InChIKeyBIQQGVRIMZRWLC-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366269) is N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cc(C)ccn2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BIQQGVRIMZRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-15-8-13-12(9-18-3)17-14(19-13)11-7-10(2)5-6-16-11/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).