3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H19N3S2 — CID 65268482

IUPAC3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CSC(C)(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-7(2)11-9-12-8(13-15-9)6-14-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyPTJVOCVCCQQINA-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.39
Rot. Bonds4

About 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268482) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268482
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(CSC(C)(C)C)ns1
InChIInChI=1S/C10H19N3S2/c1-7(2)11-9-12-8(13-15-9)6-14-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyPTJVOCVCCQQINA-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269281
5-bromo-3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazole
CID 102618030
3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116734330
3-(2-ethoxybutan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782320
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
3-[(4-fluorophenyl)methyl]-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 42776353
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
3-tert-butyl-N-(3,3-dimethylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104828840
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 65138099
3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66144994
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268482) is 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(CSC(C)(C)C)ns1.
What is the InChIKey of 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PTJVOCVCCQQINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-7(2)11-9-12-8(13-15-9)6-14-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfanylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).