4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine

C11H20N2S — CID 62941631

IUPAC4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine
SMILESCCC(C)c1csc(NC(C)(C)C)n1
InChIInChI=1S/C11H20N2S/c1-6-8(2)9-7-14-10(12-9)13-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeySPQZRBQFAMOWBU-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.87
Rot. Bonds3

About 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine

4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine (PubChem CID 62941631) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine
PubChem CID62941631
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine
SMILESCCC(C)c1csc(NC(C)(C)C)n1
InChIInChI=1S/C11H20N2S/c1-6-8(2)9-7-14-10(12-9)13-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeySPQZRBQFAMOWBU-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine (CID 62941631) is 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine is CCC(C)c1csc(NC(C)(C)C)n1.
What is the InChIKey of 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is SPQZRBQFAMOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6-8(2)9-7-14-10(12-9)13-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine?
4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62941631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).