N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine

C6H10ClN3S — CID 65277403

IUPACN-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CCl)Nc1ncns1
InChIInChI=1S/C6H10ClN3S/c1-2-5(3-7)10-6-8-4-9-11-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyRUWCRQDGWVYUJV-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.97
Rot. Bonds4

About N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine

N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277403) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65277403
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC NameN-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCC(CCl)Nc1ncns1
InChIInChI=1S/C6H10ClN3S/c1-2-5(3-7)10-6-8-4-9-11-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyRUWCRQDGWVYUJV-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65277403) is N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine is CCC(CCl)Nc1ncns1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RUWCRQDGWVYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-2-5(3-7)10-6-8-4-9-11-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 191.69 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).