4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol

C16H13ClN2OS — CID 972909

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H13ClN2OS/c1-10-8-13(20)6-7-14(10)18-16-19-15(9-21-16)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,18,19)
InChIKeySVTPBBDCXLMZHJ-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.22
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol (PubChem CID 972909) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
PubChem CID972909
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H13ClN2OS/c1-10-8-13(20)6-7-14(10)18-16-19-15(9-21-16)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,18,19)
InChIKeySVTPBBDCXLMZHJ-UHFFFAOYSA-N
XLogP5.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
CID 177179832
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
4-(4-chlorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 2215267
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol (CID 972909) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol is Cc1cc(O)ccc1Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The InChIKey is SVTPBBDCXLMZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-8-13(20)6-7-14(10)18-16-19-15(9-21-16)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol has a molecular weight of 316.81 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol is sourced from PubChem (CID 972909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).