N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine

C12H17N3OS — CID 66379865

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1csc(CN)n1
InChIInChI=1S/C12H17N3OS/c1-9(5-11-3-2-4-16-11)14-7-10-8-17-12(6-13)15-10/h2-4,8-9,14H,5-7,13H2,1H3
InChIKeyHIZXQBYNHWGEGU-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.92
Rot. Bonds6

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 66379865) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID66379865
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1csc(CN)n1
InChIInChI=1S/C12H17N3OS/c1-9(5-11-3-2-4-16-11)14-7-10-8-17-12(6-13)15-10/h2-4,8-9,14H,5-7,13H2,1H3
InChIKeyHIZXQBYNHWGEGU-UHFFFAOYSA-N
XLogP1.92
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106894984
1-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66390753
1-(furan-2-yl)-N-(quinolin-2-ylmethyl)propan-2-amine
CID 61043173
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine (CID 66379865) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCc1csc(CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is HIZXQBYNHWGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9(5-11-3-2-4-16-11)14-7-10-8-17-12(6-13)15-10/h2-4,8-9,14H,5-7,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 251.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 66379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).