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

C6H11N3OS — CID 58336946

IUPAC5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine
SMILESCOc1nc(NC(C)C)ns1
InChIInChI=1S/C6H11N3OS/c1-4(2)7-5-8-6(10-3)11-9-5/h4H,1-3H3,(H,7,9)
InChIKeyOCGURHCHBVKWKA-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.37
Rot. Bonds3

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

5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine (PubChem CID 58336946) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine
PubChem CID58336946
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine
SMILESCOc1nc(NC(C)C)ns1
InChIInChI=1S/C6H11N3OS/c1-4(2)7-5-8-6(10-3)11-9-5/h4H,1-3H3,(H,7,9)
InChIKeyOCGURHCHBVKWKA-UHFFFAOYSA-N
XLogP1.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 10489552
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279423
3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 142434872
N-propan-2-yl-1,2,4-thiadiazol-3-amine
CID 163513428
3-chloro-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 166974998
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
CID 167490841
3-bromo-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 168087379
N-(1-methoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65272540
N-(4-methoxybutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65273883

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine (CID 58336946) is 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine is COc1nc(NC(C)C)ns1.
What is the InChIKey of 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine?
The InChIKey is OCGURHCHBVKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(2)7-5-8-6(10-3)11-9-5/h4H,1-3H3,(H,7,9).
What are the key properties of 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine?
5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine has a molecular weight of 173.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 58336946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).