N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

C11H15N3S2 — CID 102840891

IUPACN-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1ccsc1C
InChIInChI=1S/C11H15N3S2/c1-3-5-12-11(10-7-13-14-16-10)9-4-6-15-8(9)2/h4,6-7,11-12H,3,5H2,1-2H3
InChIKeyLMPXOCQWGYNYFX-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.00
Rot. Bonds5

About N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine

N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 102840891) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID102840891
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)c1ccsc1C
InChIInChI=1S/C11H15N3S2/c1-3-5-12-11(10-7-13-14-16-10)9-4-6-15-8(9)2/h4,6-7,11-12H,3,5H2,1-2H3
InChIKeyLMPXOCQWGYNYFX-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-[(2-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 102832783
N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833386
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(1,3-diethylpyrazol-5-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102842163
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine (CID 102840891) is N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is LMPXOCQWGYNYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-3-5-12-11(10-7-13-14-16-10)9-4-6-15-8(9)2/h4,6-7,11-12H,3,5H2,1-2H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine?
N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 253.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).