2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine

C11H14N2OS2 — CID 66243923

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyYKBULADTOCEZSL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds5

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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine (PubChem CID 66243923) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
PubChem CID66243923
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3
InChIKeyYKBULADTOCEZSL-UHFFFAOYSA-N
XLogP2.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
CID 94795933
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
CID 66244562
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79134488
[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314037
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55570614
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
2-(furan-2-yl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47141927

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine (CID 66243923) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine is CC(CN)SCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
The InChIKey is YKBULADTOCEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-8(5-12)15-6-9-7-16-11(13-9)10-3-2-4-14-10/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).