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

C6H11N3OS — CID 65272540

IUPACN-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)Nc1ncns1
InChIInChI=1S/C6H11N3OS/c1-5(3-10-2)9-6-7-4-8-11-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYRQNRDKFKMHNOG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.98
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65272540) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65272540
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)Nc1ncns1
InChIInChI=1S/C6H11N3OS/c1-5(3-10-2)9-6-7-4-8-11-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYRQNRDKFKMHNOG-UHFFFAOYSA-N
XLogP0.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65272540) is N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine is COCC(C)Nc1ncns1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YRQNRDKFKMHNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5(3-10-2)9-6-7-4-8-11-6/h4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 173.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).