[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

C23H26N4O3S — CID 10255353

IUPAC[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c1
InChIInChI=1S/C23H26N4O3S/c1-29-19-6-4-5-16(15-19)20(28)21-22(24)26-23(31-21)25-17-7-9-18(10-8-17)30-14-13-27-11-2-3-12-27/h4-10,15H,2-3,11-14,24H2,1H3,(H,25,26)
InChIKeyMGASEYUUHCNPIB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.18
Rot. Bonds9

About [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone

[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 10255353) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
PubChem CID10255353
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2sc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c1
InChIInChI=1S/C23H26N4O3S/c1-29-19-6-4-5-16(15-19)20(28)21-22(24)26-23(31-21)25-17-7-9-18(10-8-17)30-14-13-27-11-2-3-12-27/h4-10,15H,2-3,11-14,24H2,1H3,(H,25,26)
InChIKeyMGASEYUUHCNPIB-UHFFFAOYSA-N
XLogP4.18
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[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-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone;ethane
CID 142830675
acetic acid;[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;2-bromo-1-(3-fluorophenyl)ethanone;1-[2-(4-thionitrosophenoxy)ethyl]pyrrolidine
CID 162278431
3-[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazole-5-carbonyl]benzonitrile
CID 10476494
acetic acid;[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluoro-4-hydroxyphenyl)methanone;2-bromo-1-(3-fluoro-4-hydroxyphenyl)ethanone;1-[2-(4-thionitrosophenoxy)ethyl]pyrrolidine
CID 162278430
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 10321833
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
CID 10345170
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-cyclopropylphenyl)methanone
CID 10322123
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10140140
[4-amino-2-[4-[2-(propan-2-ylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 22641046
methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate
CID 20590571
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone (CID 10255353) is [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2sc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c1.
What is the InChIKey of [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is MGASEYUUHCNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-29-19-6-4-5-16(15-19)20(28)21-22(24)26-23(31-21)25-17-7-9-18(10-8-17)30-14-13-27-11-2-3-12-27/h4-10,15H,2-3,11-14,24H2,1H3,(H,25,26).
What are the key properties of [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone?
[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 438.55 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 10255353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).