3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine

C16H19N5OS — CID 154784305

IUPAC3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1
InChIInChI=1S/C16H19N5OS/c1-11-3-5-12(6-4-11)13-9-17-15(19-13)10-18-16-20-14(21-23-16)7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeySDTPXLMFCHJMSC-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.04
Rot. Bonds7

About 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 154784305) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID154784305
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1
InChIInChI=1S/C16H19N5OS/c1-11-3-5-12(6-4-11)13-9-17-15(19-13)10-18-16-20-14(21-23-16)7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeySDTPXLMFCHJMSC-UHFFFAOYSA-N
XLogP3.04
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
3-(2-methoxyethyl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 75515613
N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
CID 133370141
2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
CID 133448186
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133358499
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 63954276
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 154784305) is 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SDTPXLMFCHJMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-3-5-12(6-4-11)13-9-17-15(19-13)10-18-16-20-14(21-23-16)7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 329.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 154784305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).