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

C15H11ClN2OS — CID 877802

IUPAC3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C15H11ClN2OS/c16-11-6-4-10(5-7-11)14-9-20-15(18-14)17-12-2-1-3-13(19)8-12/h1-9,19H,(H,17,18)
InChIKeyYCEGQPBMEPVITP-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.91
Rot. Bonds3

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

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 877802) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID877802
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C15H11ClN2OS/c16-11-6-4-10(5-7-11)14-9-20-15(18-14)17-12-2-1-3-13(19)8-12/h1-9,19H,(H,17,18)
InChIKeyYCEGQPBMEPVITP-UHFFFAOYSA-N
XLogP4.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 126048114
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol
CID 173040471
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 877802) is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is YCEGQPBMEPVITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-6-4-10(5-7-11)14-9-20-15(18-14)17-12-2-1-3-13(19)8-12/h1-9,19H,(H,17,18).
What are the key properties of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 302.79 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 877802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).