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

C12H15N3OS — CID 114361753

IUPAC[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2ccncc2C)sc1CN
InChIInChI=1S/C12H15N3OS/c1-8-6-14-4-3-9(8)12-15-10(7-16-2)11(5-13)17-12/h3-4,6H,5,7,13H2,1-2H3
InChIKeyPYDRTVRDEQTQHL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.12
Rot. Bonds4

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

[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361753) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361753
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2ccncc2C)sc1CN
InChIInChI=1S/C12H15N3OS/c1-8-6-14-4-3-9(8)12-15-10(7-16-2)11(5-13)17-12/h3-4,6H,5,7,13H2,1-2H3
InChIKeyPYDRTVRDEQTQHL-UHFFFAOYSA-N
XLogP2.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361662
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 114361705
[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanamine
CID 66279048
N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842149
2-methyl-N-[[2-(3-methyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364680
1-[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083898

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine (CID 114361753) is [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(-c2ccncc2C)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PYDRTVRDEQTQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-6-14-4-3-9(8)12-15-10(7-16-2)11(5-13)17-12/h3-4,6H,5,7,13H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).