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

C10H19N3S — CID 65208120

IUPACN,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nnc(C)s1)C(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7-12-13-9(14-7)6-8(11-5)10(2,3)4/h8,11H,6H2,1-5H3
InChIKeyXCYCHKJKZHCFQK-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.02
Rot. Bonds3

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

N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (PubChem CID 65208120) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
PubChem CID65208120
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCNC(Cc1nnc(C)s1)C(C)(C)C
InChIInChI=1S/C10H19N3S/c1-7-12-13-9(14-7)6-8(11-5)10(2,3)4/h8,11H,6H2,1-5H3
InChIKeyXCYCHKJKZHCFQK-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (CID 65208120) is N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is CNC(Cc1nnc(C)s1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The InChIKey is XCYCHKJKZHCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7-12-13-9(14-7)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)butan-2-amine?
N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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)butan-2-amine is sourced from PubChem (CID 65208120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).