4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol

C16H14N2O2S — CID 4794352

IUPAC4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(NCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13(15(20)8-12)14-10-21-16(18-14)17-9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2,(H,17,18)
InChIKeyPBYTYQVOPNPPRS-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 4794352) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID4794352
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(NCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c19-12-6-7-13(15(20)8-12)14-10-21-16(18-14)17-9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2,(H,17,18)
InChIKeyPBYTYQVOPNPPRS-UHFFFAOYSA-N
XLogP3.83
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 135541441
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126613345
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126627632
4-(benzylamino)benzene-1,3-diol
CID 21321415
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 4794352) is 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is Oc1ccc(-c2csc(NCc3ccccc3)n2)c(O)c1.
What is the InChIKey of 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is PBYTYQVOPNPPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-12-6-7-13(15(20)8-12)14-10-21-16(18-14)17-9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2,(H,17,18).
What are the key properties of 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 298.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 4794352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).