N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C16H18N2O3S — CID 71543106

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)C1CCCCC1
InChIInChI=1S/C16H18N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h6-10,19-20H,1-5H2,(H,17,18,21)
InChIKeyNCEWTGCKXFLYQP-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.74
Rot. Bonds3

About N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 71543106) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID71543106
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)C1CCCCC1
InChIInChI=1S/C16H18N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h6-10,19-20H,1-5H2,(H,17,18,21)
InChIKeyNCEWTGCKXFLYQP-UHFFFAOYSA-N
XLogP3.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 751911
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 4797121
2-hydroxy-3-methyl-N-(4-phenylthiazol-2-yl)benzamide
CID 53309542
N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide
CID 53317243
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155546251
2-Hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
CID 7529090
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705545
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 71543106) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc(-c2ccc(O)cc2O)cs1)C1CCCCC1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is NCEWTGCKXFLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h6-10,19-20H,1-5H2,(H,17,18,21).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71543106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).