(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine

C10H18N2S — CID 95366812

IUPAC(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCC(C)[C@@H](C)N[C@@H](C)c1nccs1
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)12-9(4)10-11-5-6-13-10/h5-9,12H,1-4H3/t8-,9+/m1/s1
InChIKeyPXPJVWXZPOPXSQ-BDAKNGLRSA-N
MW198.33 g/mol
LogP2.84
Rot. Bonds4

About (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine

(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine (PubChem CID 95366812) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
PubChem CID95366812
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILESCC(C)[C@@H](C)N[C@@H](C)c1nccs1
InChIInChI=1S/C10H18N2S/c1-7(2)8(3)12-9(4)10-11-5-6-13-10/h5-9,12H,1-4H3/t8-,9+/m1/s1
InChIKeyPXPJVWXZPOPXSQ-BDAKNGLRSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine (CID 95366812) is (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine is CC(C)[C@@H](C)N[C@@H](C)c1nccs1.
What is the InChIKey of (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine?
The InChIKey is PXPJVWXZPOPXSQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)8(3)12-9(4)10-11-5-6-13-10/h5-9,12H,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine?
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 95366812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).