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

C11H21N3OS — CID 65274118

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCC(Nc1nc(C(C)C)ns1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-7(2)9(6-15-5)12-11-13-10(8(3)4)14-16-11/h7-9H,6H2,1-5H3,(H,12,13,14)
InChIKeyTWOZNJZCYUMAOY-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.74
Rot. Bonds6

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

N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65274118) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65274118
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCC(Nc1nc(C(C)C)ns1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-7(2)9(6-15-5)12-11-13-10(8(3)4)14-16-11/h7-9H,6H2,1-5H3,(H,12,13,14)
InChIKeyTWOZNJZCYUMAOY-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65274118) is N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is COCC(Nc1nc(C(C)C)ns1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is TWOZNJZCYUMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-7(2)9(6-15-5)12-11-13-10(8(3)4)14-16-11/h7-9H,6H2,1-5H3,(H,12,13,14).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 243.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).