2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

C13H17N3O3S — CID 62800339

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESNc1nc(CC(=O)NCCCOCc2ccco2)cs1
InChIInChI=1S/C13H17N3O3S/c14-13-16-10(9-20-13)7-12(17)15-4-2-5-18-8-11-3-1-6-19-11/h1,3,6,9H,2,4-5,7-8H2,(H2,14,16)(H,15,17)
InChIKeyOWCVMFNEJWIGLY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds8

About 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (PubChem CID 62800339) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
PubChem CID62800339
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESNc1nc(CC(=O)NCCCOCc2ccco2)cs1
InChIInChI=1S/C13H17N3O3S/c14-13-16-10(9-20-13)7-12(17)15-4-2-5-18-8-11-3-1-6-19-11/h1,3,6,9H,2,4-5,7-8H2,(H2,14,16)(H,15,17)
InChIKeyOWCVMFNEJWIGLY-UHFFFAOYSA-N
XLogP1.58
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55119881
2-(5-amino-2-pyridinyl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 107338293
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (CID 62800339) is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is Nc1nc(CC(=O)NCCCOCc2ccco2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The InChIKey is OWCVMFNEJWIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-13-16-10(9-20-13)7-12(17)15-4-2-5-18-8-11-3-1-6-19-11/h1,3,6,9H,2,4-5,7-8H2,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is sourced from PubChem (CID 62800339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).