N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide

C15H21N3O2S — CID 43435798

IUPACN-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC(C)Cc2ccco2)cs1
InChIInChI=1S/C15H21N3O2S/c1-4-18(12(3)19)15-17-13(10-21-15)9-16-11(2)8-14-6-5-7-20-14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyJOSHNCWSBUSKHA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43435798) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43435798
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC(C)Cc2ccco2)cs1
InChIInChI=1S/C15H21N3O2S/c1-4-18(12(3)19)15-17-13(10-21-15)9-16-11(2)8-14-6-5-7-20-14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyJOSHNCWSBUSKHA-UHFFFAOYSA-N
XLogP2.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 43435798) is N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNC(C)Cc2ccco2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JOSHNCWSBUSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-18(12(3)19)15-17-13(10-21-15)9-16-11(2)8-14-6-5-7-20-14/h5-7,10-11,16H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43435798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).