1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

C8H8FN3S2 — CID 130594465

IUPAC1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H8FN3S2/c1-10-4-6-11-12-8(14-6)7-5(9)2-3-13-7/h2-3,10H,4H2,1H3
InChIKeyGJPQKJCHJKSJSS-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.13
Rot. Bonds3

About 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 130594465) has the molecular formula C8H8FN3S2 and a molecular weight of 229.31 g/mol. Its IUPAC name is 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID130594465
Molecular FormulaC8H8FN3S2
Molecular Weight229.31 g/mol
Exact Mass229.01
IUPAC Name1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H8FN3S2/c1-10-4-6-11-12-8(14-6)7-5(9)2-3-13-7/h2-3,10H,4H2,1H3
InChIKeyGJPQKJCHJKSJSS-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2-(1-Chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594459
2-(1-Bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594461
2-[5-(3-Fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130594464
2-Ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 101460114
3-ethyl-N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]hex-5-en-1-amine
CID 134232602
2-(5-(2-Thienyl)-1,3,4-thiadiazol-2-yl)ethylamine
CID 49756869
3-(5-(2-Thienyl)-1,3,4-thiadiazol-2-yl)propylamine
CID 49756878
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62576393
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62577221
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 62578484
(5-Thiophen-2-yl-1,3,4-thiadiazol-2-yl)methanamine
CID 64983001

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 130594465) is 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2sccc2F)s1.
What is the InChIKey of 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is GJPQKJCHJKSJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S2/c1-10-4-6-11-12-8(14-6)7-5(9)2-3-13-7/h2-3,10H,4H2,1H3.
What are the key properties of 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 229.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 130594465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).