[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone

C26H30N4O2S — CID 10322123

IUPAC[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
SMILESCCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(C5CC5)c4)s3)cc2)C1
InChIInChI=1S/C26H30N4O2S/c1-2-30-14-4-7-22(16-30)32-21-12-10-20(11-13-21)28-26-29-25(27)24(33-26)23(31)19-6-3-5-18(15-19)17-8-9-17/h3,5-6,10-13,15,17,22H,2,4,7-9,14,16,27H2,1H3,(H,28,29)
InChIKeyZEGBKBJKJNMJPW-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.44
Rot. Bonds8

About [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone (PubChem CID 10322123) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
PubChem CID10322123
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
SMILESCCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(C5CC5)c4)s3)cc2)C1
InChIInChI=1S/C26H30N4O2S/c1-2-30-14-4-7-22(16-30)32-21-12-10-20(11-13-21)28-26-29-25(27)24(33-26)23(31)19-6-3-5-18(15-19)17-8-9-17/h3,5-6,10-13,15,17,22H,2,4,7-9,14,16,27H2,1H3,(H,28,29)
InChIKeyZEGBKBJKJNMJPW-UHFFFAOYSA-N
XLogP5.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(4-hydroxy-3-propylphenyl)methanone
CID 22641060
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
CID 10345170
[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone
CID 10432380
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1H-imidazol-5-yl]-(3-ethylphenyl)methanone
CID 142830473
[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 10255353
[4-amino-2-[4-[(1S)-1-pyrrolidin-2-ylethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 87952780
[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-(4-piperidin-1-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-hydroxyphenyl)methanone
CID 11503889
[4-amino-2-(4-pyrrolidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-fluoro-4-methylphenyl)methanone
CID 22641066
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 10321833
methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993
[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone;ethane
CID 142830675

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone (CID 10322123) is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The canonical SMILES for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone is CCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(C5CC5)c4)s3)cc2)C1.
What is the InChIKey of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
The InChIKey is ZEGBKBJKJNMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-2-30-14-4-7-22(16-30)32-21-12-10-20(11-13-21)28-26-29-25(27)24(33-26)23(31)19-6-3-5-18(15-19)17-8-9-17/h3,5-6,10-13,15,17,22H,2,4,7-9,14,16,27H2,1H3,(H,28,29).
What are the key properties of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone?
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone has a molecular weight of 462.62 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone is sourced from PubChem (CID 10322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).