(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine

C12H14N2S — CID 105090551

IUPAC(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2scnc2C)c1
InChIInChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)11(13)12-9(2)14-7-15-12/h3-7,11H,13H2,1-2H3
InChIKeyYETOVBLUVGQVIM-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.81
Rot. Bonds2

About (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine

(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105090551) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105090551
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2scnc2C)c1
InChIInChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)11(13)12-9(2)14-7-15-12/h3-7,11H,13H2,1-2H3
InChIKeyYETOVBLUVGQVIM-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105141195
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
5-[4-chloro-3-(3-methylphenyl)butyl]-4-methyl-1,3-thiazole
CID 79423423
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105090551) is (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1cccc(C(N)c2scnc2C)c1.
What is the InChIKey of (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is YETOVBLUVGQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)11(13)12-9(2)14-7-15-12/h3-7,11H,13H2,1-2H3.
What are the key properties of (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 218.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105090551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).