N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine

C11H15N3S2 — CID 105150256

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1snnc1C
InChIInChI=1S/C11H15N3S2/c1-8-11(16-14-13-8)10(12-2)6-5-9-4-3-7-15-9/h3-4,7,10,12H,5-6H2,1-2H3
InChIKeyJXZDAYUJHAQOIH-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.80
Rot. Bonds5

About N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine

N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150256) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150256
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1snnc1C
InChIInChI=1S/C11H15N3S2/c1-8-11(16-14-13-8)10(12-2)6-5-9-4-3-7-15-9/h3-4,7,10,12H,5-6H2,1-2H3
InChIKeyJXZDAYUJHAQOIH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150397
N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 103374100
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
N-methyl-1-quinolin-4-yl-3-thiophen-2-ylpropan-1-amine
CID 105150165
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 65199569
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150256) is N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1snnc1C.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JXZDAYUJHAQOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8-11(16-14-13-8)10(12-2)6-5-9-4-3-7-15-9/h3-4,7,10,12H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine?
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 253.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).