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

C6H11N3S — CID 544670

IUPAC5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)C)s1
InChIInChI=1S/C6H11N3S/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKeyLJRUOAZKZFJJIJ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.67
Rot. Bonds2

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

5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 544670) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID544670
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)C)s1
InChIInChI=1S/C6H11N3S/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9)
InChIKeyLJRUOAZKZFJJIJ-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 3161286
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-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 407391
5-ethyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 12251650
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 544670) is 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)C)s1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LJRUOAZKZFJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4(2)7-6-9-8-5(3)10-6/h4H,1-3H3,(H,7,9).
What are the key properties of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 544670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).