1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine

C18H22N4S — CID 56709254

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine
SMILESCc1nc(C(C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1
InChIInChI=1S/C18H22N4S/c1-13(18-14(2)23-15(3)20-18)21(4)11-16-5-7-17(8-6-16)22-10-9-19-12-22/h5-10,12-13H,11H2,1-4H3
InChIKeyIYXIPVVZTIYXLY-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine (PubChem CID 56709254) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine
PubChem CID56709254
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine
SMILESCc1nc(C(C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1
InChIInChI=1S/C18H22N4S/c1-13(18-14(2)23-15(3)20-18)21(4)11-16-5-7-17(8-6-16)22-10-9-19-12-22/h5-10,12-13H,11H2,1-4H3
InChIKeyIYXIPVVZTIYXLY-UHFFFAOYSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N-methylethanamine
CID 131897360
(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
CID 99932010
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
CID 56720189
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438
1-(4-imidazol-1-ylphenyl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 70734697
methyl 2-[(4-imidazol-1-ylphenyl)methyl-methylamino]acetate
CID 60698042
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-N-methylethanamine
CID 42596188
1-(4-butylphenyl)imidazole
CID 174821695
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine (CID 56709254) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine is Cc1nc(C(C)N(C)Cc2ccc(-n3ccnc3)cc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine?
The InChIKey is IYXIPVVZTIYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13(18-14(2)23-15(3)20-18)21(4)11-16-5-7-17(8-6-16)22-10-9-19-12-22/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine has a molecular weight of 326.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 56709254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).