1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

C15H19N3OS — CID 104613096

IUPAC1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCCc1cnc(C(C)Nc2ccc(N)c(C(C)=O)c2)s1
InChIInChI=1S/C15H19N3OS/c1-4-12-8-17-15(20-12)9(2)18-11-5-6-14(16)13(7-11)10(3)19/h5-9,18H,4,16H2,1-3H3
InChIKeyBEKOZICCLFEKQU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (PubChem CID 104613096) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
PubChem CID104613096
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCCc1cnc(C(C)Nc2ccc(N)c(C(C)=O)c2)s1
InChIInChI=1S/C15H19N3OS/c1-4-12-8-17-15(20-12)9(2)18-11-5-6-14(16)13(7-11)10(3)19/h5-9,18H,4,16H2,1-3H3
InChIKeyBEKOZICCLFEKQU-UHFFFAOYSA-N
XLogP3.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile
CID 102624625
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 133335803
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
5-(aminomethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 115740766
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (CID 104613096) is 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is CCc1cnc(C(C)Nc2ccc(N)c(C(C)=O)c2)s1.
What is the InChIKey of 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The InChIKey is BEKOZICCLFEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-12-8-17-15(20-12)9(2)18-11-5-6-14(16)13(7-11)10(3)19/h5-9,18H,4,16H2,1-3H3.
What are the key properties of 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 104613096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).