[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

C18H18N2S — CID 20983740

IUPAC[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(C)c(-c2csc(-c3cccc(CN)c3)n2)c1
InChIInChI=1S/C18H18N2S/c1-12-6-7-13(2)16(8-12)17-11-21-18(20-17)15-5-3-4-14(9-15)10-19/h3-9,11H,10,19H2,1-2H3
InChIKeyNQNXHBUCODXRDO-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.55
Rot. Bonds3

About [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine

[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 20983740) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID20983740
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1ccc(C)c(-c2csc(-c3cccc(CN)c3)n2)c1
InChIInChI=1S/C18H18N2S/c1-12-6-7-13(2)16(8-12)17-11-21-18(20-17)15-5-3-4-14(9-15)10-19/h3-9,11H,10,19H2,1-2H3
InChIKeyNQNXHBUCODXRDO-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]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

[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
[3-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 82954381
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983767
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
5-[[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539824

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 20983740) is [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is Cc1ccc(C)c(-c2csc(-c3cccc(CN)c3)n2)c1.
What is the InChIKey of [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is NQNXHBUCODXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-6-7-13(2)16(8-12)17-11-21-18(20-17)15-5-3-4-14(9-15)10-19/h3-9,11H,10,19H2,1-2H3.
What are the key properties of [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine?
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 20983740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).