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

C7H13N3S — CID 60650873

IUPACN-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-5(2)8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPUQLYYQJGFUZQS-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.06
Rot. Bonds3

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

N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 60650873) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID60650873
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-5(2)8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPUQLYYQJGFUZQS-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 12251650
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
5-Sulfanylmethyl(ethyl)-1,3,4-thiadiazol-2-amine
CID 166001509
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine (CID 60650873) is N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine is CCC(C)Nc1nnc(C)s1.
What is the InChIKey of N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PUQLYYQJGFUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-5(2)8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60650873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).