N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine

C10H19N3S2 — CID 107756509

IUPACN-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)C(C)C
InChIInChI=1S/C10H19N3S2/c1-5-11-10-9(12-13-15-10)6-14-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyFCOXISDRSRQDQJ-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.25
Rot. Bonds6

About N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine

N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 107756509) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine
PubChem CID107756509
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)C(C)C
InChIInChI=1S/C10H19N3S2/c1-5-11-10-9(12-13-15-10)6-14-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyFCOXISDRSRQDQJ-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine (CID 107756509) is N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine is CCNc1snnc1CSC(C)C(C)C.
What is the InChIKey of N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is FCOXISDRSRQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-5-11-10-9(12-13-15-10)6-14-8(4)7(2)3/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine?
N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutan-2-ylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 107756509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).