(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

C9H16N2S — CID 58846279

IUPAC(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCC(C)[C@H](CN)Cc1nccs1
InChIInChI=1S/C9H16N2S/c1-7(2)8(6-10)5-9-11-3-4-12-9/h3-4,7-8H,5-6,10H2,1-2H3/t8-/m0/s1
InChIKeyUNOVPDAOBRWTME-QMMMGPOBSA-N
MW184.31 g/mol
LogP1.92
Rot. Bonds4

About (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (PubChem CID 58846279) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
PubChem CID58846279
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCC(C)[C@H](CN)Cc1nccs1
InChIInChI=1S/C9H16N2S/c1-7(2)8(6-10)5-9-11-3-4-12-9/h3-4,7-8H,5-6,10H2,1-2H3/t8-/m0/s1
InChIKeyUNOVPDAOBRWTME-QMMMGPOBSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The IUPAC name of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (CID 58846279) is (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is CC(C)[C@H](CN)Cc1nccs1.
What is the InChIKey of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The InChIKey is UNOVPDAOBRWTME-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)8(6-10)5-9-11-3-4-12-9/h3-4,7-8H,5-6,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 58846279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).