2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine

C6H11N3S — CID 126970505

IUPAC2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine
SMILESCC(C)(N)Cc1nncs1
InChIInChI=1S/C6H11N3S/c1-6(2,7)3-5-9-8-4-10-5/h4H,3,7H2,1-2H3
InChIKeyYKOHYLSCJYPZIJ-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.82
Rot. Bonds2

About 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine

2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine (PubChem CID 126970505) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine
PubChem CID126970505
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine
SMILESCC(C)(N)Cc1nncs1
InChIInChI=1S/C6H11N3S/c1-6(2,7)3-5-9-8-4-10-5/h4H,3,7H2,1-2H3
InChIKeyYKOHYLSCJYPZIJ-UHFFFAOYSA-N
XLogP0.82
TPSA51.80 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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
1-(1,3,4-Thiadiazol-2-yl)propan-2-amine
CID 64157608
1-1,3,4-Thiadiazol-2-yl-cyclopropylamine
CID 67116043
1-1,3,4-Thiadiazol-2-yl-cyclopropylamine hydrobromide
CID 67390587
2-Methyl-3-(1,3,4-thiadiazol-2-yl)propane-1,2-diamine
CID 69871684
2-(1,3,4-Thiadiazol-2-yl)propan-2-amine
CID 89115092
1-(1,3,4-Thiadiazol-2-yl)cyclopropanamine hydrochloride
CID 132988518
Hydron;1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;bromide
CID 134285302
3-Methyl-1-(1,3,4-thiadiazol-2-yl)butan-2-amine
CID 64157611
1-(1,3,4-Thiadiazol-2-yl)butan-2-amine
CID 64157612
3-(1,3,4-Thiadiazol-2-yl)butan-2-amine
CID 64158045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine (CID 126970505) is 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine is CC(C)(N)Cc1nncs1.
What is the InChIKey of 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine?
The InChIKey is YKOHYLSCJYPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-6(2,7)3-5-9-8-4-10-5/h4H,3,7H2,1-2H3.
What are the key properties of 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine?
2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine is sourced from PubChem (CID 126970505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).