2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

C19H21N3O3S — CID 120638257

IUPAC2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cs1
InChIInChI=1S/C19H21N3O3S/c20-9-8-18-21-15(13-26-18)19(24)22(11-14-5-2-1-3-6-14)12-16(23)17-7-4-10-25-17/h1-7,10,13,16,23H,8-9,11-12,20H2
InChIKeyAJVGOMNYXIYYBP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.61
Rot. Bonds8

About 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120638257) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
PubChem CID120638257
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cs1
InChIInChI=1S/C19H21N3O3S/c20-9-8-18-21-15(13-26-18)19(24)22(11-14-5-2-1-3-6-14)12-16(23)17-7-4-10-25-17/h1-7,10,13,16,23H,8-9,11-12,20H2
InChIKeyAJVGOMNYXIYYBP-UHFFFAOYSA-N
XLogP2.61
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638256
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632455
2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618164
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617053
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
N-benzyl-2,4-difluoro-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylbenzamide
CID 75425042

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (CID 120638257) is 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AJVGOMNYXIYYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c20-9-8-18-21-15(13-26-18)19(24)22(11-14-5-2-1-3-6-14)12-16(23)17-7-4-10-25-17/h1-7,10,13,16,23H,8-9,11-12,20H2.
What are the key properties of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).