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

C14H19N3OS — CID 114365915

IUPAC1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1cccnc1-c1nc(COC)c(CNC)s1
InChIInChI=1S/C14H19N3OS/c1-4-10-6-5-7-16-13(10)14-17-11(9-18-3)12(19-14)8-15-2/h5-7,15H,4,8-9H2,1-3H3
InChIKeyNFQZHGXZYZKNDW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.63
Rot. Bonds6

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

1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114365915) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114365915
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1cccnc1-c1nc(COC)c(CNC)s1
InChIInChI=1S/C14H19N3OS/c1-4-10-6-5-7-16-13(10)14-17-11(9-18-3)12(19-14)8-15-2/h5-7,15H,4,8-9H2,1-3H3
InChIKeyNFQZHGXZYZKNDW-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364114
1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365944
1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365970
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366048
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 107509600
N-[[4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114365915) is 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1cccnc1-c1nc(COC)c(CNC)s1.
What is the InChIKey of 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is NFQZHGXZYZKNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-10-6-5-7-16-13(10)14-17-11(9-18-3)12(19-14)8-15-2/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114365915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).