N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine

C8H15N3S2 — CID 61386364

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCc1nnc(SCCNC(C)C)s1
InChIInChI=1S/C8H15N3S2/c1-6(2)9-4-5-12-8-11-10-7(3)13-8/h6,9H,4-5H2,1-3H3
InChIKeyCDYKPPIFXACMJP-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (PubChem CID 61386364) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
PubChem CID61386364
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
SMILESCc1nnc(SCCNC(C)C)s1
InChIInChI=1S/C8H15N3S2/c1-6(2)9-4-5-12-8-11-10-7(3)13-8/h6,9H,4-5H2,1-3H3
InChIKeyCDYKPPIFXACMJP-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine (CID 61386364) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is Cc1nnc(SCCNC(C)C)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
The InChIKey is CDYKPPIFXACMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-6(2)9-4-5-12-8-11-10-7(3)13-8/h6,9H,4-5H2,1-3H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine is sourced from PubChem (CID 61386364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).