N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine

C9H16N2S — CID 61330921

IUPACN,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1nccs1
InChIInChI=1S/C9H16N2S/c1-4-7(2)8(10-3)9-11-5-6-12-9/h5-8,10H,4H2,1-3H3
InChIKeyFNLDRANEQVQSDG-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.45
Rot. Bonds4

About N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine

N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 61330921) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID61330921
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1nccs1
InChIInChI=1S/C9H16N2S/c1-4-7(2)8(10-3)9-11-5-6-12-9/h5-8,10H,4H2,1-3H3
InChIKeyFNLDRANEQVQSDG-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61332596
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole
CID 134548981
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine (CID 61330921) is N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine is CCC(C)C(NC)c1nccs1.
What is the InChIKey of N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is FNLDRANEQVQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-7(2)8(10-3)9-11-5-6-12-9/h5-8,10H,4H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine?
N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61330921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).