N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine

C13H25N3S — CID 82424643

IUPACN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(CN(CC)CC)s1
InChIInChI=1S/C13H25N3S/c1-5-11(4)14-8-12-9-15-13(17-12)10-16(6-2)7-3/h9,11,14H,5-8,10H2,1-4H3
InChIKeyFTELNGZLIQAQRX-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.87
Rot. Bonds8

About N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine

N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82424643) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82424643
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(CN(CC)CC)s1
InChIInChI=1S/C13H25N3S/c1-5-11(4)14-8-12-9-15-13(17-12)10-16(6-2)7-3/h9,11,14H,5-8,10H2,1-4H3
InChIKeyFTELNGZLIQAQRX-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82424643) is N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1cnc(CN(CC)CC)s1.
What is the InChIKey of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is FTELNGZLIQAQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-11(4)14-8-12-9-15-13(17-12)10-16(6-2)7-3/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82424643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).