N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C12H16N2OS — CID 104585128

IUPACN-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(C)c1ccco1)c1nccs1
InChIInChI=1S/C12H16N2OS/c1-9(12-13-5-7-16-12)8-14-10(2)11-4-3-6-15-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyCDBNYNVLTIMNIW-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.19
Rot. Bonds5

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

N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104585128) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104585128
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(C)c1ccco1)c1nccs1
InChIInChI=1S/C12H16N2OS/c1-9(12-13-5-7-16-12)8-14-10(2)11-4-3-6-15-11/h3-7,9-10,14H,8H2,1-2H3
InChIKeyCDBNYNVLTIMNIW-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
N-[1-(1-benzothiophen-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 102613455
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
CID 104584995
1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104585128) is N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNC(C)c1ccco1)c1nccs1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is CDBNYNVLTIMNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(12-13-5-7-16-12)8-14-10(2)11-4-3-6-15-11/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104585128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).