(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine

C11H20N2S — CID 59058685

IUPAC(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)N[C@H](Cc1cscn1)C(C)C
InChIInChI=1S/C11H20N2S/c1-8(2)11(13-9(3)4)5-10-6-14-7-12-10/h6-9,11,13H,5H2,1-4H3/t11-/m1/s1
InChIKeyVZVWRNAYVSMNFA-LLVKDONJSA-N
MW212.36 g/mol
LogP2.71
Rot. Bonds5

About (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine

(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine (PubChem CID 59058685) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine
PubChem CID59058685
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine
SMILESCC(C)N[C@H](Cc1cscn1)C(C)C
InChIInChI=1S/C11H20N2S/c1-8(2)11(13-9(3)4)5-10-6-14-7-12-10/h6-9,11,13H,5H2,1-4H3/t11-/m1/s1
InChIKeyVZVWRNAYVSMNFA-LLVKDONJSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine (CID 59058685) is (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine is CC(C)N[C@H](Cc1cscn1)C(C)C.
What is the InChIKey of (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is VZVWRNAYVSMNFA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)11(13-9(3)4)5-10-6-14-7-12-10/h6-9,11,13H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine?
(2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-propan-2-yl-1-(1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 59058685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).