N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine

C10H13N3S2 — CID 105147974

IUPACN-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cnns1
InChIInChI=1S/C10H13N3S2/c1-11-9(10-6-12-13-15-10)3-2-8-4-5-14-7-8/h4-7,9,11H,2-3H2,1H3
InChIKeyJJZGQKOGGOJLMC-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine

N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 105147974) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID105147974
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC NameN-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cnns1
InChIInChI=1S/C10H13N3S2/c1-11-9(10-6-12-13-15-10)3-2-8-4-5-14-7-8/h4-7,9,11H,2-3H2,1H3
InChIKeyJJZGQKOGGOJLMC-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

1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113398628
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 114330528
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine (CID 105147974) is N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1cnns1.
What is the InChIKey of N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is JJZGQKOGGOJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-11-9(10-6-12-13-15-10)3-2-8-4-5-14-7-8/h4-7,9,11H,2-3H2,1H3.
What are the key properties of N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine?
N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-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-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).