N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline

C15H16N4S — CID 62352245

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCCn1ccnc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H16N4S/c1-2-19-9-7-16-14(19)11-18-13-5-3-12(4-6-13)15-17-8-10-20-15/h3-10,18H,2,11H2,1H3
InChIKeyZYTMPPNOFRAQNQ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.64
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline

N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 62352245) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID62352245
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCCn1ccnc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H16N4S/c1-2-19-9-7-16-14(19)11-18-13-5-3-12(4-6-13)15-17-8-10-20-15/h3-10,18H,2,11H2,1H3
InChIKeyZYTMPPNOFRAQNQ-UHFFFAOYSA-N
XLogP3.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62351715
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694542
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
CID 54861913
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115380154

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (CID 62352245) is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline is CCn1ccnc1CNc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is ZYTMPPNOFRAQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-19-9-7-16-14(19)11-18-13-5-3-12(4-6-13)15-17-8-10-20-15/h3-10,18H,2,11H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 62352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).