4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol

C13H12N4OS2 — CID 2866860

IUPAC4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1nc(N)sc1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C13H12N4OS2/c1-7-11(20-12(14)15-7)10-6-19-13(17-10)16-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H2,14,15)(H,16,17)
InChIKeyJXRGXGZWJHFCOH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.61
Rot. Bonds3

About 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol

4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 2866860) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID2866860
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1nc(N)sc1-c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C13H12N4OS2/c1-7-11(20-12(14)15-7)10-6-19-13(17-10)16-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H2,14,15)(H,16,17)
InChIKeyJXRGXGZWJHFCOH-UHFFFAOYSA-N
XLogP3.61
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
CID 2877428
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867135
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
CID 143561890
2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
CID 24830655
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877340
3-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-chloro-1-N,1-N-dimethylbenzene-1,3-diamine
CID 46904983

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol (CID 2866860) is 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol is Cc1nc(N)sc1-c1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is JXRGXGZWJHFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-7-11(20-12(14)15-7)10-6-19-13(17-10)16-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 304.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 2866860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).