N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

C7H13N3S2 — CID 61386342

IUPACN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSc1nncs1
InChIInChI=1S/C7H13N3S2/c1-2-3-8-4-5-11-7-10-9-6-12-7/h6,8H,2-5H2,1H3
InChIKeyAPNNZTULDWCGJQ-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 61386342) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID61386342
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSc1nncs1
InChIInChI=1S/C7H13N3S2/c1-2-3-8-4-5-11-7-10-9-6-12-7/h6,8H,2-5H2,1H3
InChIKeyAPNNZTULDWCGJQ-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576233
2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62576645
5-[2-(Dimethylazaniumyl)ethylsulfanyl]-1,3,4-thiadiazole-2-thiolate
CID 28434790
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
3-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 60915394
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386341
N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386355
N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]cyclopropanamine
CID 61386356
N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386357
N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386358
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 61386359
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386372

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (CID 61386342) is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is CCCNCCSc1nncs1.
What is the InChIKey of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is APNNZTULDWCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-2-3-8-4-5-11-7-10-9-6-12-7/h6,8H,2-5H2,1H3.
What are the key properties of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 61386342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).