N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C15H14N4O2S2 — CID 653511

IUPACN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1
InChIInChI=1S/C15H14N4O2S2/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyLVRAAIKDYFGGMD-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.98
Rot. Bonds4

About N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 653511) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID653511
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1
InChIInChI=1S/C15H14N4O2S2/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyLVRAAIKDYFGGMD-UHFFFAOYSA-N
XLogP3.98
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-3-methyl-phenol
CID 973149
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
N-{2-[(3-hydroxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1117200
4-[(2'-Amino-4'-methyl-4,5'-bi-1,3-thiazol-2-yl)amino]-3-methylphenol
CID 972952
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501
N-(6-hydroxybenzothiazol-2-yl)-N'-phenylurea
CID 21413325
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877296
4-[(4-Thien-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 793670
3-Methyl-4-{[4-(2-thienyl)-1,3-thiazol-2-yl]amino}phenol
CID 2215270
{2-[({[1-(4-hydroxyphenyl)-1H-tetraazol-5-yl]thio}acetyl)amino]-1,3-thiazol-4-yl}acetic acid
CID 2729307

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 653511) is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1.
What is the InChIKey of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LVRAAIKDYFGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 653511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).