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

C12H14N2S2 — CID 106849619

IUPAC[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCSc1ccc(-c2nc(C)c(CN)s2)cc1
InChIInChI=1S/C12H14N2S2/c1-8-11(7-13)16-12(14-8)9-3-5-10(15-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyLQOIQTNAWHJEIM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.30
Rot. Bonds3

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

[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106849619) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106849619
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCSc1ccc(-c2nc(C)c(CN)s2)cc1
InChIInChI=1S/C12H14N2S2/c1-8-11(7-13)16-12(14-8)9-3-5-10(15-2)6-4-9/h3-6H,7,13H2,1-2H3
InChIKeyLQOIQTNAWHJEIM-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885669
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106849657
[2-(4-ethylsulfanylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 116836394
N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61281898
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 98020365

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine (CID 106849619) is [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine is CSc1ccc(-c2nc(C)c(CN)s2)cc1.
What is the InChIKey of [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LQOIQTNAWHJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8-11(7-13)16-12(14-8)9-3-5-10(15-2)6-4-9/h3-6H,7,13H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106849619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).