N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine

C11H21N3S — CID 133494506

IUPACN-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCC(C)N(C)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H21N3S/c1-7-8(2)14(6)10-12-9(13-15-10)11(3,4)5/h8H,7H2,1-6H3
InChIKeyBKSDCZZTJZWRRN-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.07
Rot. Bonds3

About N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine

N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133494506) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133494506
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCC(C)N(C)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H21N3S/c1-7-8(2)14(6)10-12-9(13-15-10)11(3,4)5/h8H,7H2,1-6H3
InChIKeyBKSDCZZTJZWRRN-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 133494506) is N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine is CCC(C)N(C)c1nc(C(C)(C)C)ns1.
What is the InChIKey of N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BKSDCZZTJZWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-7-8(2)14(6)10-12-9(13-15-10)11(3,4)5/h8H,7H2,1-6H3.
What are the key properties of N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133494506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).