N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide

C14H18N4O2S — CID 133370141

IUPACN-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
SMILESCOCCc1nsc(NCc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)9-15-14-17-13(18-21-14)7-8-20-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyJUVNBIRXUKTDPM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.30
Rot. Bonds7

About N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide

N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide (PubChem CID 133370141) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
PubChem CID133370141
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
SMILESCOCCc1nsc(NCc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)9-15-14-17-13(18-21-14)7-8-20-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyJUVNBIRXUKTDPM-UHFFFAOYSA-N
XLogP2.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335545
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838
4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 136528474
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide (CID 133370141) is N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide is COCCc1nsc(NCc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide?
The InChIKey is JUVNBIRXUKTDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)9-15-14-17-13(18-21-14)7-8-20-2/h3-6H,7-9H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 133370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).