[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone

C23H26N4O2S — CID 10345170

IUPAC[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
SMILESCCNCCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(C4CC4)c3)s2)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-25-12-13-29-19-10-8-18(9-11-19)26-23-27-22(24)21(30-23)20(28)17-5-3-4-16(14-17)15-6-7-15/h3-5,8-11,14-15,25H,2,6-7,12-13,24H2,1H3,(H,26,27)
InChIKeyCIMCWUAUKUSXMB-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.57
Rot. Bonds10

About [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone

[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone (PubChem CID 10345170) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
PubChem CID10345170
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
SMILESCCNCCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(C4CC4)c3)s2)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-25-12-13-29-19-10-8-18(9-11-19)26-23-27-22(24)21(30-23)20(28)17-5-3-4-16(14-17)15-6-7-15/h3-5,8-11,14-15,25H,2,6-7,12-13,24H2,1H3,(H,26,27)
InChIKeyCIMCWUAUKUSXMB-UHFFFAOYSA-N
XLogP4.57
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 10321833
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
CID 10322123
[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone;ethane
CID 142830675
[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 10255353
3-[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazole-5-carbonyl]benzonitrile
CID 10476494
[4-amino-2-[4-[2-(propan-2-ylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 22641046
[4-amino-2-[4-[(2R)-2-pyrrolidin-1-ylpropoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone;2-bromo-1-(3-cyclopropylphenyl)ethanone;phosphanylmethyl N'-[[4-[(2R)-2-pyrrolidin-1-ylpropoxy]phenyl]carbamothioyl]carbamimidothioate
CID 159572735
[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluoro-4-methylphenyl)methanone
CID 10003378
[4-amino-2-(4-bromoanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285835
[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone
CID 10432380
[4-amino-2-[4-[(2R)-2-(dimethylamino)propoxy]anilino]-1,3-thiazol-5-yl]-(3-fluoro-4-methylphenyl)methanone
CID 10365280
[4-amino-2-[4-[(1S)-1-pyrrolidin-2-ylethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 87952780

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The IUPAC name of [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone (CID 10345170) is [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The canonical SMILES for [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone is CCNCCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(C4CC4)c3)s2)cc1.
What is the InChIKey of [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The InChIKey is CIMCWUAUKUSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-25-12-13-29-19-10-8-18(9-11-19)26-23-27-22(24)21(30-23)20(28)17-5-3-4-16(14-17)15-6-7-15/h3-5,8-11,14-15,25H,2,6-7,12-13,24H2,1H3,(H,26,27).
What are the key properties of [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone has a molecular weight of 422.55 g/mol, XLogP of 4.57, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone is sourced from PubChem (CID 10345170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).