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

C14H17N3S3 — CID 80739251

IUPACN-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
SMILESCCCNCCCc1nnc(-c2cc3sccc3s2)s1
InChIInChI=1S/C14H17N3S3/c1-2-6-15-7-3-4-13-16-17-14(20-13)12-9-11-10(19-12)5-8-18-11/h5,8-9,15H,2-4,6-7H2,1H3
InChIKeyNIEWKSANYACXTC-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.41
Rot. Bonds7

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

N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine (PubChem CID 80739251) has the molecular formula C14H17N3S3 and a molecular weight of 323.51 g/mol. Its IUPAC name is N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
PubChem CID80739251
Molecular FormulaC14H17N3S3
Molecular Weight323.51 g/mol
Exact Mass323.06
IUPAC NameN-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
SMILESCCCNCCCc1nnc(-c2cc3sccc3s2)s1
InChIInChI=1S/C14H17N3S3/c1-2-6-15-7-3-4-13-16-17-14(20-13)12-9-11-10(19-12)5-8-18-11/h5,8-9,15H,2-4,6-7H2,1H3
InChIKeyNIEWKSANYACXTC-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 114031492
3-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107966932
N-propyl-1-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 80739697
N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 80745146
4-chloro-3-[5-[3-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]phenol
CID 106503504
3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 104786719
3-[5-[3-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-4-one
CID 136812823
3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81461172
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N'-methyl-N-propyl-N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine
CID 113409063
3-[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81116623
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837734

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The IUPAC name of N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine (CID 80739251) is N-propyl-3-(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-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine is CCCNCCCc1nnc(-c2cc3sccc3s2)s1.
What is the InChIKey of N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
The InChIKey is NIEWKSANYACXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S3/c1-2-6-15-7-3-4-13-16-17-14(20-13)12-9-11-10(19-12)5-8-18-11/h5,8-9,15H,2-4,6-7H2,1H3.
What are the key properties of N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine?
N-propyl-3-(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 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-thiadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 80739251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).