5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C14H14N4OS3 — CID 2474505

IUPAC5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1
InChIInChI=1S/C14H14N4OS3/c1-2-19-11-5-3-9(4-6-11)12-16-10(7-20-12)8-21-14-18-17-13(15)22-14/h3-7H,2,8H2,1H3,(H2,15,17)
InChIKeyHZAKRBNMGFJLJF-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.93
Rot. Bonds6

About 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2474505) has the molecular formula C14H14N4OS3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID2474505
Molecular FormulaC14H14N4OS3
Molecular Weight350.49 g/mol
Exact Mass350.03
IUPAC Name5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1
InChIInChI=1S/C14H14N4OS3/c1-2-19-11-5-3-9(4-6-11)12-16-10(7-20-12)8-21-14-18-17-13(15)22-14/h3-7H,2,8H2,1H3,(H2,15,17)
InChIKeyHZAKRBNMGFJLJF-UHFFFAOYSA-N
XLogP3.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
2-[[2-(4-Ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole
CID 4875681
4-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537037
5-Methylsulfanyl-4-(4-phenoxymethyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537342
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
4-(4-Ethoxyphenyl)-1,3-thiazol-2-amine
CID 613217
4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
2-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482058
5-[[2-(4-Ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2460529

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 2474505) is 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1.
What is the InChIKey of 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HZAKRBNMGFJLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS3/c1-2-19-11-5-3-9(4-6-11)12-16-10(7-20-12)8-21-14-18-17-13(15)22-14/h3-7H,2,8H2,1H3,(H2,15,17).
What are the key properties of 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 350.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).