N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

C8H15N3S2 — CID 61386355

IUPACN-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(C)NCCCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-7(2)9-4-3-5-12-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyOJUOJDPCSKVCTP-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.02
Rot. Bonds6

About N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 61386355) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID61386355
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCC(C)NCCCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-7(2)9-4-3-5-12-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyOJUOJDPCSKVCTP-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.02
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
1-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64650551
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386341
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 61386342
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
N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386373
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine
CID 61386374
2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 61386375

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 61386355) is N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is CC(C)NCCCSc1nncs1.
What is the InChIKey of N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is OJUOJDPCSKVCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-7(2)9-4-3-5-12-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 61386355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).