4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one

C12H16N2O4S — CID 106380938

IUPAC4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COCc2ccco2)cs1
InChIInChI=1S/C12H16N2O4S/c15-10(6-17-7-11-2-1-3-18-11)5-13-4-9-8-19-12(16)14-9/h1-3,8,10,13,15H,4-7H2,(H,14,16)
InChIKeyKWKFCNSDHGZPBK-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.70
Rot. Bonds8

About 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380938) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380938
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)COCc2ccco2)cs1
InChIInChI=1S/C12H16N2O4S/c15-10(6-17-7-11-2-1-3-18-11)5-13-4-9-8-19-12(16)14-9/h1-3,8,10,13,15H,4-7H2,(H,14,16)
InChIKeyKWKFCNSDHGZPBK-UHFFFAOYSA-N
XLogP0.70
TPSA87.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381101
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 61208557
4-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380938) is 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)COCc2ccco2)cs1.
What is the InChIKey of 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KWKFCNSDHGZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-10(6-17-7-11-2-1-3-18-11)5-13-4-9-8-19-12(16)14-9/h1-3,8,10,13,15H,4-7H2,(H,14,16).
What are the key properties of 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 284.34 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).