4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine

C14H18FN5S — CID 62177498

IUPAC4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H18FN5S/c1-16-14-12(17-18-21-14)10-19-6-8-20(9-7-19)13-5-3-2-4-11(13)15/h2-5,16H,6-10H2,1H3
InChIKeySHVDWXIVLWGBAD-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.04
Rot. Bonds4

About 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine

4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62177498) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine
PubChem CID62177498
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H18FN5S/c1-16-14-12(17-18-21-14)10-19-6-8-20(9-7-19)13-5-3-2-4-11(13)15/h2-5,16H,6-10H2,1H3
InChIKeySHVDWXIVLWGBAD-UHFFFAOYSA-N
XLogP2.04
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine (CID 62177498) is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is SHVDWXIVLWGBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-16-14-12(17-18-21-14)10-19-6-8-20(9-7-19)13-5-3-2-4-11(13)15/h2-5,16H,6-10H2,1H3.
What are the key properties of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine?
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 307.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62177498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).