N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide

C14H18N2O3S2 — CID 75388800

IUPACN-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CC(C)C)c2cccc(O)c2)s1
InChIInChI=1S/C14H18N2O3S2/c1-10(2)9-16(12-5-4-6-13(17)7-12)21(18,19)14-8-15-11(3)20-14/h4-8,10,17H,9H2,1-3H3
InChIKeyKJEQYGAACXYCNP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.01
Rot. Bonds5

About N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide

N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 75388800) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID75388800
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N(CC(C)C)c2cccc(O)c2)s1
InChIInChI=1S/C14H18N2O3S2/c1-10(2)9-16(12-5-4-6-13(17)7-12)21(18,19)14-8-15-11(3)20-14/h4-8,10,17H,9H2,1-3H3
InChIKeyKJEQYGAACXYCNP-UHFFFAOYSA-N
XLogP3.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
CID 104936964
N-(3-hydroxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 136534341
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 103223825
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 75388898
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol
CID 71861840
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
4-amino-N-(3-chlorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 123596862

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide (CID 75388800) is N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N(CC(C)C)c2cccc(O)c2)s1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KJEQYGAACXYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10(2)9-16(12-5-4-6-13(17)7-12)21(18,19)14-8-15-11(3)20-14/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide?
N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 75388800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).