N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine

C10H13N3S2 — CID 115907644

IUPACN-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(CNCc1csnn1)c1cccs1
InChIInChI=1S/C10H13N3S2/c1-8(10-3-2-4-14-10)5-11-6-9-7-15-13-12-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyAGXAWFAYAKUQSP-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.49
Rot. Bonds5

About N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine

N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 115907644) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID115907644
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC NameN-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(CNCc1csnn1)c1cccs1
InChIInChI=1S/C10H13N3S2/c1-8(10-3-2-4-14-10)5-11-6-9-7-15-13-12-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyAGXAWFAYAKUQSP-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904997
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907720
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 63842588
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine (CID 115907644) is N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine is CC(CNCc1csnn1)c1cccs1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is AGXAWFAYAKUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-8(10-3-2-4-14-10)5-11-6-9-7-15-13-12-9/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 239.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115907644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).