4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine

C12H14N2OS2 — CID 82304530

IUPAC4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(SCc2csc(N)n2)c(C)c1
InChIInChI=1S/C12H14N2OS2/c1-8-5-10(15-2)3-4-11(8)16-6-9-7-17-12(13)14-9/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyHMEZGHQPSMRORW-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds4

About 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 82304530) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID82304530
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(SCc2csc(N)n2)c(C)c1
InChIInChI=1S/C12H14N2OS2/c1-8-5-10(15-2)3-4-11(8)16-6-9-7-17-12(13)14-9/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyHMEZGHQPSMRORW-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine 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

4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79147621
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
CID 42281861
3-(4-methoxy-2-methylphenyl)sulfanylpropanenitrile
CID 117033970
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 62268712
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 110717920
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 117032593
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79527451
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 82304530) is 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine is COc1ccc(SCc2csc(N)n2)c(C)c1.
What is the InChIKey of 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is HMEZGHQPSMRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-5-10(15-2)3-4-11(8)16-6-9-7-17-12(13)14-9/h3-5,7H,6H2,1-2H3,(H2,13,14).
What are the key properties of 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82304530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).