3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H17N5OS — CID 146149005

IUPAC3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C)c1nsc(NCc2[nH]ncc2C)n1
InChIInChI=1S/C11H17N5OS/c1-7-5-13-15-8(7)6-12-10-14-9(16-18-10)11(2,3)17-4/h5H,6H2,1-4H3,(H,13,15)(H,12,14,16)
InChIKeyIVNNBJOVMGXPMN-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.06
Rot. Bonds5

About 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 146149005) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID146149005
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOC(C)(C)c1nsc(NCc2[nH]ncc2C)n1
InChIInChI=1S/C11H17N5OS/c1-7-5-13-15-8(7)6-12-10-14-9(16-18-10)11(2,3)17-4/h5H,6H2,1-4H3,(H,13,15)(H,12,14,16)
InChIKeyIVNNBJOVMGXPMN-UHFFFAOYSA-N
XLogP2.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 146149005) is 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine is COC(C)(C)c1nsc(NCc2[nH]ncc2C)n1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IVNNBJOVMGXPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-7-5-13-15-8(7)6-12-10-14-9(16-18-10)11(2,3)17-4/h5H,6H2,1-4H3,(H,13,15)(H,12,14,16).
What are the key properties of 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 267.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 146149005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).