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

C10H19N3OS — CID 115886040

IUPACN-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-7(2)8-11-9(15-13-8)12-10(3,4)6-14-5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyOSMBRFMWXLMRHB-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.50
Rot. Bonds5

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

N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 115886040) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID115886040
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOCC(C)(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-7(2)8-11-9(15-13-8)12-10(3,4)6-14-5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyOSMBRFMWXLMRHB-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274118
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277218
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
CID 106142084
2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270325
N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 130731275
N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
CID 116734357
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79246881
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-[(4-methoxythian-4-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 172899903
methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65271392
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275792

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 115886040) is N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is COCC(C)(C)Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OSMBRFMWXLMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-7(2)8-11-9(15-13-8)12-10(3,4)6-14-5/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115886040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).