N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C13H16FN3OS — CID 133352392

IUPACN-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3OS/c1-17(9-10-4-3-5-11(14)8-10)13-15-12(16-19-13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCZWWVFSGIKPKOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.50
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133352392) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133352392
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3OS/c1-17(9-10-4-3-5-11(14)8-10)13-15-12(16-19-13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyCZWWVFSGIKPKOP-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133431092
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 171328514
N-[(5-bromothiophen-2-yl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133358291
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
methyl 2-[(3-fluorophenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423413
methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
3-[2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486092
2-[(3-fluorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764589
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976718
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 133352392) is N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CZWWVFSGIKPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-17(9-10-4-3-5-11(14)8-10)13-15-12(16-19-13)6-7-18-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).