N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

C9H17N3S2 — CID 62577255

IUPACN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCCCNCCCCSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-2-5-10-6-3-4-7-13-9-12-11-8-14-9/h8,10H,2-7H2,1H3
InChIKeyDZJHNSZHZXCJTB-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.41
Rot. Bonds8

About N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine

N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (PubChem CID 62577255) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
PubChem CID62577255
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCCCNCCCCSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-2-5-10-6-3-4-7-13-9-12-11-8-14-9/h8,10H,2-7H2,1H3
InChIKeyDZJHNSZHZXCJTB-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.41
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
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-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 61386342
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
N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386373
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-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The IUPAC name of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (CID 62577255) is N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is CCCNCCCCSc1nncs1.
What is the InChIKey of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The InChIKey is DZJHNSZHZXCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-2-5-10-6-3-4-7-13-9-12-11-8-14-9/h8,10H,2-7H2,1H3.
What are the key properties of N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine has a molecular weight of 231.39 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 62577255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).