N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine

C11H15N3OS — CID 105177705

IUPACN-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cnsn1
InChIInChI=1S/C11H15N3OS/c1-2-4-12-10(11-7-13-16-14-11)6-9-3-5-15-8-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyQQSNQAZXQILASH-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 105177705) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
PubChem CID105177705
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cnsn1
InChIInChI=1S/C11H15N3OS/c1-2-4-12-10(11-7-13-16-14-11)6-9-3-5-15-8-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyQQSNQAZXQILASH-UHFFFAOYSA-N
XLogP2.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-[1-(4-bromothiophen-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176142
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[2-(5-bromo-2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105110384

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine (CID 105177705) is N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cnsn1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is QQSNQAZXQILASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-4-12-10(11-7-13-16-14-11)6-9-3-5-15-8-9/h3,5,7-8,10,12H,2,4,6H2,1H3.
What are the key properties of N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105177705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).