N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C22H17N5S2 — CID 163214634

IUPACN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1
InChIInChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25)
InChIKeyRFYBAKAFOBAFNR-UHFFFAOYSA-N
MW415.55 g/mol
LogP6.17
Rot. Bonds5

About N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214634) has the molecular formula C22H17N5S2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214634
Molecular FormulaC22H17N5S2
Molecular Weight415.55 g/mol
Exact Mass415.09
IUPAC NameN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1
InChIInChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25)
InChIKeyRFYBAKAFOBAFNR-UHFFFAOYSA-N
XLogP6.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910449
4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
CID 58910753
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910748
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 86580247
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
4-(4-imidazol-1-ylphenyl)-N-(1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 58911089
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910669
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214677
1-N-(3-ethyl-6-methyl-2-pyridinyl)-3-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 58910776
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214634) is N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Cc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is RFYBAKAFOBAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25).
What are the key properties of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 415.55 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).