N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide

C15H19N3O2S — CID 75379739

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1nnc(CNC(=O)Cc2cccc(O)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14-18-17-13(21-14)9-16-12(20)8-10-5-4-6-11(19)7-10/h4-7,19H,8-9H2,1-3H3,(H,16,20)
InChIKeyRIGARBGFJVPFOX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.40
Rot. Bonds4

About N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 75379739) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID75379739
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1nnc(CNC(=O)Cc2cccc(O)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14-18-17-13(21-14)9-16-12(20)8-10-5-4-6-11(19)7-10/h4-7,19H,8-9H2,1-3H3,(H,16,20)
InChIKeyRIGARBGFJVPFOX-UHFFFAOYSA-N
XLogP2.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 83631570
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 54904297
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 63859309
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide (CID 75379739) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide is CC(C)(C)c1nnc(CNC(=O)Cc2cccc(O)c2)s1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is RIGARBGFJVPFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)14-18-17-13(21-14)9-16-12(20)8-10-5-4-6-11(19)7-10/h4-7,19H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 75379739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).