4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol

C14H16N2O2S — CID 126627632

IUPAC4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESC=C(CCC)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-4-9(2)15-14-16-12(8-19-14)11-6-5-10(17)7-13(11)18/h5-8,17-18H,2-4H2,1H3,(H,15,16)
InChIKeyHORKNDGEUHEYFW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.95
Rot. Bonds5

About 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 126627632) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID126627632
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESC=C(CCC)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-4-9(2)15-14-16-12(8-19-14)11-6-5-10(17)7-13(11)18/h5-8,17-18H,2-4H2,1H3,(H,15,16)
InChIKeyHORKNDGEUHEYFW-UHFFFAOYSA-N
XLogP3.95
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668613
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]-4-(hydroxymethyl)benzamide;N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668612
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 122668603
4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 45124176
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 126627632) is 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is C=C(CCC)Nc1nc(-c2ccc(O)cc2O)cs1.
What is the InChIKey of 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is HORKNDGEUHEYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-4-9(2)15-14-16-12(8-19-14)11-6-5-10(17)7-13(11)18/h5-8,17-18H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 276.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 126627632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).