N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 122152969

IUPACN-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C1CC1)C(C)Nc1nc(C)ns1
InChIInChI=1S/C11H19N3OS/c1-7(11(3,15-4)9-5-6-9)12-10-13-8(2)14-16-10/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyQXCGNNDMKKDRHJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.46
Rot. Bonds5

About N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 122152969) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID122152969
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C1CC1)C(C)Nc1nc(C)ns1
InChIInChI=1S/C11H19N3OS/c1-7(11(3,15-4)9-5-6-9)12-10-13-8(2)14-16-10/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyQXCGNNDMKKDRHJ-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 122152969) is N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is COC(C)(C1CC1)C(C)Nc1nc(C)ns1.
What is the InChIKey of N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QXCGNNDMKKDRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(11(3,15-4)9-5-6-9)12-10-13-8(2)14-16-10/h7,9H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 122152969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).