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

C8H15N3S — CID 64916570

IUPAC5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-4-7(5-2)9-8-11-10-6(3)12-8/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeySYUDNRUNMFPZQZ-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.45
Rot. Bonds4

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

5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 64916570) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID64916570
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-4-7(5-2)9-8-11-10-6(3)12-8/h7H,4-5H2,1-3H3,(H,9,11)
InChIKeySYUDNRUNMFPZQZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.45
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
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
5-methyl-N-(4,4,4-trifluorobutyl)-1,3,4-thiadiazol-2-amine
CID 79040377
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine (CID 64916570) is 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine is CCC(CC)Nc1nnc(C)s1.
What is the InChIKey of 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SYUDNRUNMFPZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-7(5-2)9-8-11-10-6(3)12-8/h7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine?
5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64916570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).