N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

C10H18N2S — CID 62529372

IUPACN-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCCNCC(CC)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWTFJPYOGNULQCD-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.32
Rot. Bonds6

About N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 62529372) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID62529372
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCCNCC(CC)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWTFJPYOGNULQCD-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
4-[2-(bromomethyl)pentyl]-1,3-thiazole
CID 66050527
4-[2-(chloromethyl)pentyl]-1,3-thiazole
CID 66036568
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 62529372) is N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is CCNCC(CC)Cc1cscn1.
What is the InChIKey of N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is WTFJPYOGNULQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 62529372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).