5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C16H16FN3OS3 — CID 18279765

IUPAC5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(F)cc1CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C16H16FN3OS3/c1-21-14-5-4-12(17)9-11(14)10-23-16-20-19-15(24-16)18-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyZFZNQCVOBHVZRO-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.69
Rot. Bonds8

About 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 18279765) has the molecular formula C16H16FN3OS3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID18279765
Molecular FormulaC16H16FN3OS3
Molecular Weight381.52 g/mol
Exact Mass381.04
IUPAC Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(F)cc1CSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C16H16FN3OS3/c1-21-14-5-4-12(17)9-11(14)10-23-16-20-19-15(24-16)18-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyZFZNQCVOBHVZRO-UHFFFAOYSA-N
XLogP4.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[(3-methylphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576791
1-(3-chloro-4-methoxyphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24562894
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664714
N-(2-thiophen-2-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16576651
N-(2-methoxy-5-methylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664702
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 47130653
3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 47130725
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 51283678
N-(2,5-difluorophenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24562933
6-chloro-7-methyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one
CID 46664711
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576708

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 18279765) is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is COc1ccc(F)cc1CSc1nnc(NCCc2cccs2)s1.
What is the InChIKey of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZFZNQCVOBHVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS3/c1-21-14-5-4-12(17)9-11(14)10-23-16-20-19-15(24-16)18-7-6-13-3-2-8-22-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19).
What are the key properties of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 381.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18279765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).