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

C14H19N3OS — CID 114365944

IUPAC1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(C)cc2C)nc1COC
InChIInChI=1S/C14H19N3OS/c1-9-5-10(2)13(16-6-9)14-17-11(8-18-4)12(19-14)7-15-3/h5-6,15H,7-8H2,1-4H3
InChIKeyZNWYBRGMWBQRJQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.69
Rot. Bonds5

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

1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114365944) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114365944
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncc(C)cc2C)nc1COC
InChIInChI=1S/C14H19N3OS/c1-9-5-10(2)13(16-6-9)14-17-11(8-18-4)12(19-14)7-15-3/h5-6,15H,7-8H2,1-4H3
InChIKeyZNWYBRGMWBQRJQ-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366327
1-[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365970
1-[4-cyclopropyl-2-(3,5-dimethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366921
1-[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083898
N-[[2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842077
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365915
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366495

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114365944) is 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ncc(C)cc2C)nc1COC.
What is the InChIKey of 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZNWYBRGMWBQRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-5-10(2)13(16-6-9)14-17-11(8-18-4)12(19-14)7-15-3/h5-6,15H,7-8H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114365944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).