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

C9H17N3S2 — CID 61386376

IUPAC2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-9(2,3)10-5-4-6-13-8-12-11-7-14-8/h7,10H,4-6H2,1-3H3
InChIKeyANVURWNTJNNCFE-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.41
Rot. Bonds5

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

2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine (PubChem CID 61386376) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine
PubChem CID61386376
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine
SMILESCC(C)(C)NCCCSc1nncs1
InChIInChI=1S/C9H17N3S2/c1-9(2,3)10-5-4-6-13-8-12-11-7-14-8/h7,10H,4-6H2,1-3H3
InChIKeyANVURWNTJNNCFE-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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-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
2-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile
CID 61922403
2-(Ethylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
CID 61922612
2-Methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
CID 61922613
2-(Ethylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
CID 61926301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine (CID 61386376) is 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine is CC(C)(C)NCCCSc1nncs1.
What is the InChIKey of 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine?
The InChIKey is ANVURWNTJNNCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-9(2,3)10-5-4-6-13-8-12-11-7-14-8/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine?
2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine has a molecular weight of 231.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]propan-2-amine is sourced from PubChem (CID 61386376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).