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

C14H19FN4OS — CID 133411263

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCc2ccc(CN(C)C)c(F)c2)n1
InChIInChI=1S/C14H19FN4OS/c1-19(2)8-11-5-4-10(6-12(11)15)7-16-14-17-13(9-20-3)18-21-14/h4-6H,7-9H2,1-3H3,(H,16,17,18)
InChIKeyZQHZNWGJWRHPRN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.50
Rot. Bonds7

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

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133411263) has the molecular formula C14H19FN4OS and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133411263
Molecular FormulaC14H19FN4OS
Molecular Weight310.40 g/mol
Exact Mass310.13
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCc2ccc(CN(C)C)c(F)c2)n1
InChIInChI=1S/C14H19FN4OS/c1-19(2)8-11-5-4-10(6-12(11)15)7-16-14-17-13(9-20-3)18-21-14/h4-6H,7-9H2,1-3H3,(H,16,17,18)
InChIKeyZQHZNWGJWRHPRN-UHFFFAOYSA-N
XLogP2.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (CID 133411263) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NCc2ccc(CN(C)C)c(F)c2)n1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZQHZNWGJWRHPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4OS/c1-19(2)8-11-5-4-10(6-12(11)15)7-16-14-17-13(9-20-3)18-21-14/h4-6H,7-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 310.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133411263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).