5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine

C6H11N3OS — CID 12799746

IUPAC5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)(C)c1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-6(2,10-3)4-8-9-5(7)11-4/h1-3H3,(H2,7,9)
InChIKeyWMTZYCXMWBDRCG-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.00
Rot. Bonds2

About 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine

5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 12799746) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID12799746
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)(C)c1nnc(N)s1
InChIInChI=1S/C6H11N3OS/c1-6(2,10-3)4-8-9-5(7)11-4/h1-3H3,(H2,7,9)
InChIKeyWMTZYCXMWBDRCG-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Amino-1,3,4-thiadiazol-2-yl)propan-2-ol
CID 61993589
5-(1-Methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 12799741
5-[1-(1-Methylethoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 12799745
5-[(1R)-1-methoxyethyl]-1,3,4-thiadiazol-2-amine
CID 51898171
2-Isocyanato-5-(2-methoxypropan-2-yl)-1,3,4-thiadiazole
CID 54487890
5-[2-(3-Butoxy-3-methylbutoxy)propan-2-yl]-1,3,4-thiadiazol-2-amine
CID 68213403
5-(1-Butoxyethyl)-1,3,4-thiadiazol-2-amine
CID 118370653
5-(1-Methoxycyclopropyl)-1,3,4-thiadiazol-2-amine
CID 168232086
O-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl] ethanethioate
CID 174788429
5-(Propoxymethyl)-1,3,4-thiadiazol-2-amine
CID 51342161
5-(1-Propoxyethyl)-1,3,4-thiadiazol-2-amine
CID 51342162
5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-amine
CID 51898170

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 12799746) is 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine is COC(C)(C)c1nnc(N)s1.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WMTZYCXMWBDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-6(2,10-3)4-8-9-5(7)11-4/h1-3H3,(H2,7,9).
What are the key properties of 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 173.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12799746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).