N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

C15H23N3S2 — CID 105136145

IUPACN-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)c1snnc1CC
InChIInChI=1S/C15H23N3S2/c1-4-9-16-14(15-13(6-3)17-18-20-15)10-12-8-7-11(5-2)19-12/h7-8,14,16H,4-6,9-10H2,1-3H3
InChIKeySAKBBFAGFROKIX-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.01
Rot. Bonds8

About N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105136145) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID105136145
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)c1snnc1CC
InChIInChI=1S/C15H23N3S2/c1-4-9-16-14(15-13(6-3)17-18-20-15)10-12-8-7-11(5-2)19-12/h7-8,14,16H,4-6,9-10H2,1-3H3
InChIKeySAKBBFAGFROKIX-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
N-[1-(3,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842683
N-[2-(5-ethylthiophen-2-yl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 115842306
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104
N-[1-(2-chloro-4-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63419847
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 105136145) is N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)s1)c1snnc1CC.
What is the InChIKey of N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is SAKBBFAGFROKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-4-9-16-14(15-13(6-3)17-18-20-15)10-12-8-7-11(5-2)19-12/h7-8,14,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105136145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).