2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide

C14H18N4O3S2 — CID 46997951

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)CSc2nnc(N)s2)cc(OC)c1
InChIInChI=1S/C14H18N4O3S2/c1-20-10-5-9(6-11(7-10)21-2)3-4-16-12(19)8-22-14-18-17-13(15)23-14/h5-7H,3-4,8H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyRJRUVVJLEQANKQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.59
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 46997951) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID46997951
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)CSc2nnc(N)s2)cc(OC)c1
InChIInChI=1S/C14H18N4O3S2/c1-20-10-5-9(6-11(7-10)21-2)3-4-16-12(19)8-22-14-18-17-13(15)23-14/h5-7H,3-4,8H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyRJRUVVJLEQANKQ-UHFFFAOYSA-N
XLogP1.59
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883642
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2522291
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9199610
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2584637
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 43249711
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 4109618
5-[(3-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 81154925
(3R)-3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 7310857
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7692216
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30580573

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide (CID 46997951) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide is COc1cc(CCNC(=O)CSc2nnc(N)s2)cc(OC)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is RJRUVVJLEQANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-20-10-5-9(6-11(7-10)21-2)3-4-16-12(19)8-22-14-18-17-13(15)23-14/h5-7H,3-4,8H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46997951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).