N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine

C10H19N3S2 — CID 64650069

IUPACN,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(CSc1nnc(C)s1)C(C)(C)C
InChIInChI=1S/C10H19N3S2/c1-7-12-13-9(15-7)14-6-8(11-5)10(2,3)4/h8,11H,6H2,1-5H3
InChIKeyBQJGDUFBKLAEPF-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.57
Rot. Bonds4

About N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine

N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 64650069) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
PubChem CID64650069
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCNC(CSc1nnc(C)s1)C(C)(C)C
InChIInChI=1S/C10H19N3S2/c1-7-12-13-9(15-7)14-6-8(11-5)10(2,3)4/h8,11H,6H2,1-5H3
InChIKeyBQJGDUFBKLAEPF-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine (CID 64650069) is N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine is CNC(CSc1nnc(C)s1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is BQJGDUFBKLAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-7-12-13-9(15-7)14-6-8(11-5)10(2,3)4/h8,11H,6H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 245.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 64650069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).