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

C9H17N3OS — CID 65273255

IUPACN-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCCC(COC)Nc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-5-8(6-13-3)11-9-10-7(2)12-14-9/h8H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySXWDCYNQHVHKPR-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.07
Rot. Bonds6

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

N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273255) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65273255
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCCCC(COC)Nc1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-4-5-8(6-13-3)11-9-10-7(2)12-14-9/h8H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySXWDCYNQHVHKPR-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 106154565
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268030
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
6-hydrazinyl-N-(1-methoxypentan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918200
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79033406
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80572796
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106026374
N-(1-methoxypentan-2-yl)-5-nitro-1,3-thiazol-2-amine
CID 102770838
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65273255) is N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is CCCC(COC)Nc1nc(C)ns1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SXWDCYNQHVHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-8(6-13-3)11-9-10-7(2)12-14-9/h8H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).