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

C18H24N4O2S — CID 134039427

IUPACN-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCc1nc(CN(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C18H24N4O2S/c1-4-18-21-16(12-25-18)10-22(5-2)11-17(24)20-15-8-6-14(7-9-15)19-13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyRKXWZTMCBGSJDD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.12
Rot. Bonds8

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

N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide (PubChem CID 134039427) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
PubChem CID134039427
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
SMILESCCc1nc(CN(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C18H24N4O2S/c1-4-18-21-16(12-25-18)10-22(5-2)11-17(24)20-15-8-6-14(7-9-15)19-13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyRKXWZTMCBGSJDD-UHFFFAOYSA-N
XLogP3.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 26583201
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779571
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986992
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78787788
2-[ethyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 17465917
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide (CID 134039427) is N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide is CCc1nc(CN(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
The InChIKey is RKXWZTMCBGSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-18-21-16(12-25-18)10-22(5-2)11-17(24)20-15-8-6-14(7-9-15)19-13(3)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 134039427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).