5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride

C7H13ClN4S — CID 141354172

IUPAC5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C7H12N4S.ClH/c1-7(2,3)6-11-10-5(12-6)4(8)9;/h1-3H3,(H3,8,9);1H
InChIKeyQIFDQQVBJMWGSK-UHFFFAOYSA-N
MW220.73 g/mol
LogP1.54
Rot. Bonds1

About 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride

5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride (PubChem CID 141354172) has the molecular formula C7H13ClN4S and a molecular weight of 220.73 g/mol. Its IUPAC name is 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride
PubChem CID141354172
Molecular FormulaC7H13ClN4S
Molecular Weight220.73 g/mol
Exact Mass220.05
IUPAC Name5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C7H12N4S.ClH/c1-7(2,3)6-11-10-5(12-6)4(8)9;/h1-3H3,(H3,8,9);1H
InChIKeyQIFDQQVBJMWGSK-UHFFFAOYSA-N
XLogP1.54
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82429557
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carboximidamide
CID 82439613
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
CID 82439378
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
CID 118900466
2-tert-butyl-5-methyl-1,3,4-thiadiazole;ethane
CID 143855350
2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
6-tert-butylpyridazine-3-carboximidamide
CID 89426391
5-[(1E,3E)-4-[5-(diaminomethylideneamino)-1,3,4-thiadiazol-2-yl]buta-1,3-dienyl]-1,3,4-thiadiazole-2-carboximidamide
CID 58767950
5-bromothiophene-2-carboximidamide;hydrochloride
CID 44607693
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride?
The IUPAC name of 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride (CID 141354172) is 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride?
The InChIKey is QIFDQQVBJMWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S.ClH/c1-7(2,3)6-11-10-5(12-6)4(8)9;/h1-3H3,(H3,8,9);1H.
What are the key properties of 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride?
5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride has a molecular weight of 220.73 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,4-thiadiazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 141354172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).