N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine

C9H11N3S2 — CID 105100347

IUPACN-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)c1cnns1
InChIInChI=1S/C9H11N3S2/c1-2-10-9(7-4-3-5-13-7)8-6-11-12-14-8/h3-6,9-10H,2H2,1H3
InChIKeyQQQAJBBENPUOAX-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.30
Rot. Bonds4

About N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine

N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine (PubChem CID 105100347) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
PubChem CID105100347
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)c1cnns1
InChIInChI=1S/C9H11N3S2/c1-2-10-9(7-4-3-5-13-7)8-6-11-12-14-8/h3-6,9-10H,2H2,1H3
InChIKeyQQQAJBBENPUOAX-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105141221
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105141112
N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105083153
N-[cycloocten-1-yl(thiadiazol-5-yl)methyl]ethanamine
CID 106656392
N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 102840891
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593

Frequently Asked Questions

What is the IUPAC name of N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine (CID 105100347) is N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine is CCNC(c1cccs1)c1cnns1.
What is the InChIKey of N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is QQQAJBBENPUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-2-10-9(7-4-3-5-13-7)8-6-11-12-14-8/h3-6,9-10H,2H2,1H3.
What are the key properties of N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine?
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105100347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).