[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine

C11H13N3S — CID 62551037

IUPAC[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(Cc2cccnc2)sc1CN
InChIInChI=1S/C11H13N3S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h2-4,7H,5-6,12H2,1H3
InChIKeyFBGFVXKNFXXWOC-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.90
Rot. Bonds3

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

[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62551037) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID62551037
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(Cc2cccnc2)sc1CN
InChIInChI=1S/C11H13N3S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h2-4,7H,5-6,12H2,1H3
InChIKeyFBGFVXKNFXXWOC-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 62929665
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 83292082
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 62551037) is [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine is Cc1nc(Cc2cccnc2)sc1CN.
What is the InChIKey of [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FBGFVXKNFXXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h2-4,7H,5-6,12H2,1H3.
What are the key properties of [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 219.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62551037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).