3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol

C14H12N2OS2 — CID 2215270

IUPAC3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCc1cc(O)ccc1Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H12N2OS2/c1-9-7-10(17)4-5-11(9)15-14-16-12(8-19-14)13-3-2-6-18-13/h2-8,17H,1H3,(H,15,16)
InChIKeyGADVRFSWDPZFDZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.63
Rot. Bonds3

About 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol

3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 2215270) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID2215270
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCc1cc(O)ccc1Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H12N2OS2/c1-9-7-10(17)4-5-11(9)15-14-16-12(8-19-14)13-3-2-6-18-13/h2-8,17H,1H3,(H,15,16)
InChIKeyGADVRFSWDPZFDZ-UHFFFAOYSA-N
XLogP4.63
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084
N-(2-chloro-6-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777078
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 972612
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
3-nitro-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 108777065
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate
CID 54702756
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol (CID 2215270) is 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol is Cc1cc(O)ccc1Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is GADVRFSWDPZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-7-10(17)4-5-11(9)15-14-16-12(8-19-14)13-3-2-6-18-13/h2-8,17H,1H3,(H,15,16).
What are the key properties of 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol?
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 288.40 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 2215270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).