5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine

C9H17N3S — CID 107647820

IUPAC5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C9H17N3S/c1-4-6-7(3)10-9-12-11-8(5-2)13-9/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyLQOTUXDXGHGRJT-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.70
Rot. Bonds5

About 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine

5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 107647820) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID107647820
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CC)s1
InChIInChI=1S/C9H17N3S/c1-4-6-7(3)10-9-12-11-8(5-2)13-9/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyLQOTUXDXGHGRJT-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-N-neopentylamine
CID 2798093
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 104854452
1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,4-diamine
CID 106127802
N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260415
5-(2-methylpropyl)-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 106261063
N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647969
5-ethyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107648125

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine (CID 107647820) is 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine is CCCC(C)Nc1nnc(CC)s1.
What is the InChIKey of 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LQOTUXDXGHGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-6-7(3)10-9-12-11-8(5-2)13-9/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine?
5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-pentan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).