N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

C22H23N5OS — CID 58910769

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCN(C)CCOc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1
InChIInChI=1S/C22H23N5OS/c1-26(2)13-14-28-20-9-5-18(6-10-20)24-22-25-21(15-29-22)17-3-7-19(8-4-17)27-12-11-23-16-27/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyQQIGSJNSFLFASU-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.68
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 58910769) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID58910769
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCN(C)CCOc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1
InChIInChI=1S/C22H23N5OS/c1-26(2)13-14-28-20-9-5-18(6-10-20)24-22-25-21(15-29-22)17-3-7-19(8-4-17)27-12-11-23-16-27/h3-12,15-16H,13-14H2,1-2H3,(H,24,25)
InChIKeyQQIGSJNSFLFASU-UHFFFAOYSA-N
XLogP4.68
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (CID 58910769) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is CN(C)CCOc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QQIGSJNSFLFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-26(2)13-14-28-20-9-5-18(6-10-20)24-22-25-21(15-29-22)17-3-7-19(8-4-17)27-12-11-23-16-27/h3-12,15-16H,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 405.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).