3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride

C6H11ClN4S — CID 141354164

IUPAC3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C(C)C)ns1
InChIInChI=1S/C6H10N4S.ClH/c1-3(2)5-9-6(4(7)8)11-10-5;/h3H,1-2H3,(H3,7,8);1H
InChIKeyOJDQQQSRERUVDI-UHFFFAOYSA-N
MW206.70 g/mol
LogP1.37
Rot. Bonds2

About 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride

3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride (PubChem CID 141354164) has the molecular formula C6H11ClN4S and a molecular weight of 206.70 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride
PubChem CID141354164
Molecular FormulaC6H11ClN4S
Molecular Weight206.70 g/mol
Exact Mass206.04
IUPAC Name3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1nc(C(C)C)ns1
InChIInChI=1S/C6H10N4S.ClH/c1-3(2)5-9-6(4(7)8)11-10-5;/h3H,1-2H3,(H3,7,8);1H
InChIKeyOJDQQQSRERUVDI-UHFFFAOYSA-N
XLogP1.37
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 51.37
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

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
3-Methyl-5-propan-2-yl-1,2,4-thiadiazole
CID 20605582
5-Propan-2-yl-3-propyl-1,2,4-thiadiazole
CID 20605584
3,5-Di(propan-2-yl)-1,2,4-thiadiazole
CID 21054923
3-Ethyl-5-methyl-1,2,4-thiadiazole
CID 22947825
5-Ethyl-3-methyl-1,2,4-thiadiazole
CID 23528320
5-Methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 59049207
3-Tert-butyl-5-methyl-1,2,4-thiadiazole
CID 59125550
5-Tert-butyl-3-methyl-1,2,4-thiadiazole
CID 59463937

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride?
The IUPAC name of 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride (CID 141354164) is 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride.
What is the SMILES notation for 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride?
The canonical SMILES for 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1nc(C(C)C)ns1.
What is the InChIKey of 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride?
The InChIKey is OJDQQQSRERUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S.ClH/c1-3(2)5-9-6(4(7)8)11-10-5;/h3H,1-2H3,(H3,7,8);1H.
What are the key properties of 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride?
3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride has a molecular weight of 206.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride is sourced from PubChem (CID 141354164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).