N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 146867317

IUPACN-methyl-5-pentyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCc1nnc(NC)s1
InChIInChI=1S/C8H15N3S/c1-3-4-5-6-7-10-11-8(9-2)12-7/h3-6H2,1-2H3,(H,9,11)
InChIKeySMMOCCMNHZXPIC-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.31
Rot. Bonds5

About N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine

N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine (PubChem CID 146867317) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-pentyl-1,3,4-thiadiazol-2-amine
PubChem CID146867317
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-methyl-5-pentyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCc1nnc(NC)s1
InChIInChI=1S/C8H15N3S/c1-3-4-5-6-7-10-11-8(9-2)12-7/h3-6H2,1-2H3,(H,9,11)
InChIKeySMMOCCMNHZXPIC-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-5-pentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine (CID 146867317) is N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine is CCCCCc1nnc(NC)s1.
What is the InChIKey of N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SMMOCCMNHZXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-4-5-6-7-10-11-8(9-2)12-7/h3-6H2,1-2H3,(H,9,11).
What are the key properties of N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine?
N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pentyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146867317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).