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

C16H14N2O2S — CID 972980

IUPAC4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol
SMILESCOc1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-14-4-2-3-12(9-14)17-16-18-15(10-21-16)11-5-7-13(19)8-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyIFCQEPWFSBLITN-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds4

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

4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol (PubChem CID 972980) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol
PubChem CID972980
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol
SMILESCOc1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-14-4-2-3-12(9-14)17-16-18-15(10-21-16)11-5-7-13(19)8-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyIFCQEPWFSBLITN-UHFFFAOYSA-N
XLogP4.27
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
3-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 694593

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol (CID 972980) is 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol is COc1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The InChIKey is IFCQEPWFSBLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-14-4-2-3-12(9-14)17-16-18-15(10-21-16)11-5-7-13(19)8-6-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol?
4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol has a molecular weight of 298.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 972980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).