N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

C9H17N3S2 — CID 131207186

IUPACN-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Sc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C9H17N3S2/c1-6(2)13-8-12-11-7(14-8)10-9(3,4)5/h6H,1-5H3,(H,10,11)
InChIKeyCOWRQQHIDISECA-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.25
Rot. Bonds3

About N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 131207186) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID131207186
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Sc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C9H17N3S2/c1-6(2)13-8-12-11-7(14-8)10-9(3,4)5/h6H,1-5H3,(H,10,11)
InChIKeyCOWRQQHIDISECA-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 18101322
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 18101301
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6919150
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 39850655
2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3586064
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
CID 18123434
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one
CID 18101328
N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 18142364
(2S)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 41073533
N-(2-acetylphenyl)-2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18101416
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
1-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 18101219

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 131207186) is N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is CC(C)Sc1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is COWRQQHIDISECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-6(2)13-8-12-11-7(14-8)10-9(3,4)5/h6H,1-5H3,(H,10,11).
What are the key properties of N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 231.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131207186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).