5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

C17H21N5OS — CID 86782932

IUPAC5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Cc2nnc(NCc3c(C)nn(C)c3C)s2)c1
InChIInChI=1S/C17H21N5OS/c1-11-15(12(2)22(3)21-11)10-18-17-20-19-16(24-17)9-13-6-5-7-14(8-13)23-4/h5-8H,9-10H2,1-4H3,(H,18,20)
InChIKeyRSNSOUMJZDPWOH-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.10
Rot. Bonds6

About 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine

5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86782932) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID86782932
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Cc2nnc(NCc3c(C)nn(C)c3C)s2)c1
InChIInChI=1S/C17H21N5OS/c1-11-15(12(2)22(3)21-11)10-18-17-20-19-16(24-17)9-13-6-5-7-14(8-13)23-4/h5-8H,9-10H2,1-4H3,(H,18,20)
InChIKeyRSNSOUMJZDPWOH-UHFFFAOYSA-N
XLogP3.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
5-benzyl-N-[(3-methoxy-5-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451564
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356
1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 112730009
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28618675
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
(2S)-2-amino-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119319877
[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28965499

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 86782932) is 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is COc1cccc(Cc2nnc(NCc3c(C)nn(C)c3C)s2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RSNSOUMJZDPWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-15(12(2)22(3)21-11)10-18-17-20-19-16(24-17)9-13-6-5-7-14(8-13)23-4/h5-8H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86782932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).