N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine

C6H10ClN3S — CID 43808219

IUPACN-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine
SMILESCCC(C)Nc1nsnc1Cl
InChIInChI=1S/C6H10ClN3S/c1-3-4(2)8-6-5(7)9-11-10-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyKFANWQNTVNGZHP-UHFFFAOYSA-N
MW191.69 g/mol
LogP2.40
Rot. Bonds3

About N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine

N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine (PubChem CID 43808219) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine
PubChem CID43808219
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC NameN-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine
SMILESCCC(C)Nc1nsnc1Cl
InChIInChI=1S/C6H10ClN3S/c1-3-4(2)8-6-5(7)9-11-10-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyKFANWQNTVNGZHP-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine (CID 43808219) is N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine is CCC(C)Nc1nsnc1Cl.
What is the InChIKey of N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine?
The InChIKey is KFANWQNTVNGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-3-4(2)8-6-5(7)9-11-10-6/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine?
N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine has a molecular weight of 191.69 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).