N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine

C14H17N3S3 — CID 80739697

IUPACN-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc3sccc3s2)s1
InChIInChI=1S/C14H17N3S3/c1-3-6-15-9(4-2)13-16-17-14(20-13)12-8-11-10(19-12)5-7-18-11/h5,7-9,15H,3-4,6H2,1-2H3
InChIKeyWTHUOQOHVQJUDK-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.93
Rot. Bonds6

About N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine

N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine (PubChem CID 80739697) has the molecular formula C14H17N3S3 and a molecular weight of 323.51 g/mol. Its IUPAC name is N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
PubChem CID80739697
Molecular FormulaC14H17N3S3
Molecular Weight323.51 g/mol
Exact Mass323.06
IUPAC NameN-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc3sccc3s2)s1
InChIInChI=1S/C14H17N3S3/c1-3-6-15-9(4-2)13-16-17-14(20-13)12-8-11-10(19-12)5-7-18-11/h5,7-9,15H,3-4,6H2,1-2H3
InChIKeyWTHUOQOHVQJUDK-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine with MolForge

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Related Compounds

1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81129275
N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 80739251
2-[chloro(phenyl)methyl]-5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazole
CID 80740204
1-[5-(4,5-dibromothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 80538071
3-[5-[1-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-4-one
CID 136812869
N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 107065161
N-[2-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 115821315
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The IUPAC name of N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine (CID 80739697) is N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine is CCCNC(CC)c1nnc(-c2cc3sccc3s2)s1.
What is the InChIKey of N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The InChIKey is WTHUOQOHVQJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S3/c1-3-6-15-9(4-2)13-16-17-14(20-13)12-8-11-10(19-12)5-7-18-11/h5,7-9,15H,3-4,6H2,1-2H3.
What are the key properties of N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine has a molecular weight of 323.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 80739697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).