N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C17H23N3O2S — CID 111489947

IUPACN-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-20(9-15-11-23-17(19-15)18-13(3)21)10-16(22)14-7-5-12(2)6-8-14/h5-8,11,16,22H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyKTVLZOGYLSWYCK-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.97
Rot. Bonds7

About N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111489947) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111489947
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(Cc1csc(NC(C)=O)n1)CC(O)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-20(9-15-11-23-17(19-15)18-13(3)21)10-16(22)14-7-5-12(2)6-8-14/h5-8,11,16,22H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyKTVLZOGYLSWYCK-UHFFFAOYSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62014404
methyl 2-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 46432778
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111825584
3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86852367
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656504
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300

Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 111489947) is N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(Cc1csc(NC(C)=O)n1)CC(O)c1ccc(C)cc1.
What is the InChIKey of N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KTVLZOGYLSWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20(9-15-11-23-17(19-15)18-13(3)21)10-16(22)14-7-5-12(2)6-8-14/h5-8,11,16,22H,4,9-10H2,1-3H3,(H,18,19,21).
What are the key properties of N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111489947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).